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Glu-Asp-Leu is a tripeptide. | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N |
(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate is the (1S,2R)-diastereomer of 1-C-(indol-3-yl)glycerol 3-phosphate. It is a conjugate acid of a (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate(2-). | C1=CC=C2C(=C1)C(=CN2)[C@@H]([C@@H](COP(=O)(O)O)O)O |
Fenugreekine is a purine nucleotide-sugar. | C1=CC(=NC(=C1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O |
Beta-D-arabinopyranose is a D-arabinopyranose with beta-configuration at the anomeric position. It is an enantiomer of a beta-L-arabinopyranose. | C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O |
Sn-glycero-3-phosphoserine is a glycerol 1-phosphoserine in which the glycero portion has R-configuration. It is a conjugate acid of a sn-glycero-3-phosphoserine(1-). | C([C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)O |
Alpha-D-fucose is a D-fucopyranose having alpha-configuration at its anomeric centre. It has a role as an allergen. It is an enantiomer of an alpha-L-fucose. | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O |
1-deoxy-N-acetylglucosamine is a monosaccharide. | CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO |
Met-Leu is a dipeptide formed from L-methionine and L-leucine residues. It has a role as a metabolite. | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)N |
Trans-aconitic acid is the trans-isomer of aconitic acid. It has a role as a fundamental metabolite. It is a conjugate acid of a trans-aconitate(3-). | C(/C(=C\C(=O)O)/C(=O)O)C(=O)O |
(2R,3R,4R,5S,6R)-5-[[(2R,3R,4R,5S,6R)-5-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol is a glycoside and an amino cyclitol. | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO |
7-oxolithocholic acid is a bile acid that is lithocholic acid carrying an additional oxo substituent at position 7. It has a role as a human metabolite. It is a bile acid, a monohydroxy-5beta-cholanic acid, an oxo-5beta-cholanic acid and a 3alpha-hydroxy steroid. It is functionally related to a lithocholic acid. It is a conjugate acid of a 7-oxolithocholate. | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
Maleic acid is a butenedioic acid in which the double bond has cis- (Z)-configuration. It has a role as a plant metabolite, an algal metabolite and a mouse metabolite. It is a conjugate acid of a maleate(1-) and a maleate. | C(=C\C(=O)O)\C(=O)O |
(S)-camphor is the S-enantiomer of camphor. It is an enantiomer of a (R)-camphor. | C[C@]12CC[C@H](C1(C)C)CC2=O |
L-tartaric acid is a tartaric acid. It is a conjugate acid of a L-tartrate(1-). It is an enantiomer of a D-tartaric acid. | [C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Alpha-L-gulose is a L-gulopyranose with an alpha-configuration at the anomeric position. It is an enantiomer of an alpha-D-gulose. | C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O |
Alpha-L-xylopyranose is an L-xylopyranose that has alpha- configuration at the anomeric centre. | C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O |
L-argininium(2+) is an argininium(2+). It is a conjugate acid of a L-argininium(1+). It is an enantiomer of a D-argininium(2+). | C(C[C@@H](C(=O)O)[NH3+])C[NH+]=C(N)N |
2-O-sulfo-alpha-L-idopyranuronic acid is a carbohydrate acid derivative that is alpha-L-iduronic acid in which the hydroxy group at position 2 has been converted into the correspondinghydrogen sullfate derivative. It is a carbohydrate sulfate and a carbohydrate acid derivative. | [C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O |
(1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol is a gamma-aminobutyric acid (GABA)-based hapten where a 4-substituted benzoyl group is attached to nitrogen. It has a role as a hapten. It is a monocarboxylic acid, a member of cyclohexanols and a N-acyl-gamma-aminobutyric acid. It is functionally related to a gamma-aminobutyric acid. | C1C[C@@H]([C@H](C[C@H]1C2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)NCCCC(=O)O |
(2R,3R)-heptane-1,2,3-triol is heptane-1,2,3-triol with R-configuration at both the C-2 and C-3 centres. | CCCC[C@H]([C@@H](CO)O)O |
Lys-Cys-Lys is an oligopeptide. | C(CCN)C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O)N |
Lys-Met-Lys is an oligopeptide. | CSCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N |
Lys-His-Lys is an oligopeptide. | C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N |
Lys-Ile-Lys is an oligopeptide. | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N |
Lys-Gly-Lys is an oligopeptide. | C(CCN)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)N |
6-deoxyinosine 5'-phosphate is the 5'-monophosphate of 6-deoxyinosine. It is functionally related to an inosine. | C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
Lys-Pro-Lys is an oligopeptide. | C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCN)C(=O)O |
4R-aminopentanoic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid. | C[C@H](CCC(=O)O)N |
Lys-Asp-Lys is an oligopeptide. | C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)N |
Lys-Ser-Lys is an oligopeptide. | C(CCN)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)N |
Lys-Thr-Lys is an oligopeptide. | C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N)O |
Lys-Asn-Lys is an oligopeptide. | C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)N |
Lys-Gln-Lys is an oligopeptide. | C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)N |
3'-dephospho-CoA is an adenosine 5'-phosphate that is coenzyme A in which the phosphate group at position 3' has been replaced by a hydrogen atom. It is an intermediate metabolite in pantothenate and CoA biosynthesis. It has a role as an Escherichia coli metabolite, a human metabolite and a mouse metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of a 3'-dephospho-CoA(2-). | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O |
Acetyl-CoA is an acyl-CoA having acetyl as its S-acetyl component. It has a role as an effector, a coenzyme, an acyl donor and a fundamental metabolite. It is functionally related to an acetic acid and a coenzyme A. It is a conjugate acid of an acetyl-CoA(4-). | CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Lys-Leu-Lys is an oligopeptide. | CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N |
Beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc is a linear amino trisaccharide consisting of three N-acetyl-beta-D-glucosamine residues linked (1->4). It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide. | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O |
Val-Arg is a dipeptide formed from L-valine and L-asparagine residues. It has a role as a metabolite. It is functionally related to a L-valine and a L-asparagine. | CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N |
Cinnamic acid is a monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. It has a role as a plant metabolite. It is a member of styrenes and a member of cinnamic acids. It is a conjugate acid of a cinnamate. | C1=CC=C(C=C1)/C=C/C(=O)O |
3-O-sulfo-beta-D-galactose is a monosaccharide sulfate that is beta-D-galactose bearing a single sulfo substituent at position 3; sulfatide in which both acyl chains have been removed by treatment with ceramide glycanase. It has a role as an epitope. It is functionally related to a beta-D-galactose. | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O |
Met-Ala-Ser is an oligopeptide. | C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCSC)N |
Ergosterol is a phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a fungal metabolite and a Saccharomyces cerevisiae metabolite. It is a 3beta-sterol, an ergostanoid, a 3beta-hydroxy-Delta(5)-steroid and a member of phytosterols. | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
(2S)-butan-2-ol is a butan-2-ol. It is an enantiomer of a (2R)-butan-2-ol. | CC[C@H](C)O |
Beta-garosamine is a garosamine. | C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O |
(S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane is a 4-oxo monocarboxylic acid that is a synthetic musk fragrance and hydrophobic hapten with an indane core. It has a role as a hapten and a fragrance. It is a member of indanes and a 4-oxo monocarboxylic acid. It is functionally related to a traseolide. | C[C@H]1[C@@H](C2=C(C1(C)C)C=C(C(=C2)C(=O)CCC(=O)O)C)C(C)C |
1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione is an organic heterotricyclic compound arising from formal [4+2]-cycloaddition of hexachlorocyclopentadiene to N-methylmaleimide. It has a role as an epitope. It is an organochlorine compound, an organic heterotricyclic compound and a bridged compound. It is functionally related to a succinimide. | CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
(S)-3-phenyllactic acid is the (S)-enantiomer of 3-phenyllactic acid. It is a (2S)-2-hydroxy monocarboxylic acid and a 3-phenyllactic acid. It is a conjugate acid of a (S)-3-phenyllactate. It is an enantiomer of a (R)-3-phenyllactic acid. | C1=CC=C(C=C1)C[C@@H](C(=O)O)O |
MPH is a phosphonoacetic acid. | CSCC[C@H](N)P(=O)(O)O |
Trichostatin A is an antibiotic antifungal agent, a trichostatin and a hydroxamic acid. It has a role as a bacterial metabolite, a geroprotector and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is functionally related to a (R)-trichostatic acid. | C[C@H](/C=C(\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C |
N-(5'-phosphopyridoxyl)-L-alanine is an alanine derivative arising from reductive N-alkylation of L-alanine by pyridoxal-5-phosphate. It has a role as an epitope and an antigen. It is a L-alanine derivative, a non-proteinogenic L-alpha-amino acid, a monohydroxypyridine and a phosphate monoester. It is functionally related to a pyridoxal. It is a conjugate acid of a N-(5'-phosphonatopyridoxyl)-L-alaninate(2-). It is an enantiomer of a N-(5'-phosphopyridoxyl)-D-alanine. | CC1=NC=C(C(=C1O)CN[C@@H](C)C(=O)O)COP(=O)(O)O |
Alpha-D-glucuronic acid is a D-glucopyranuronic acid in which the anomeric centre has alpha-configuration. It is a conjugate acid of an alpha-D-glucuronate. | [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O |
All-trans-retinoic acid is a retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. It has a role as a keratolytic drug, an antineoplastic agent, an antioxidant, a signalling molecule, a retinoid X receptor agonist, an anti-inflammatory agent, an AP-1 antagonist, a retinoic acid receptor agonist and a human metabolite. It is a retinoic acid and a vitamin A. It is a conjugate acid of an all-trans-retinoate. | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C |
D(pT)3 is a single-stranded DNA oligonucleotide composed of three deoxythymidylic acid residues connected by 3'->5' phosphodiester linkages and terminated by a 5'-phosphate. It contains a dTMP 3'-end residue, a dTMP 5'-end residue and a thymidine 5'-monophosphate residue. | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)N6C=C(C(=O)NC6=O)C)O |
(R)-2-benzylsuccinic acid is the (R)-enantiomer of 2-benzylsuccinic acid. It has a role as a xenobiotic metabolite. | C1=CC=C(C=C1)C[C@H](CC(=O)O)C(=O)O |
1-thio-beta-D-glucopyranose is a thiosugar that is beta-D-glucopyranose in which the hydroxy group at position 1 is replaced by a sulfanyl group It is a thiol, a monosaccharide derivative and a thiosugar. It is functionally related to a beta-D-glucose. | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O |
(R)-chloroquine is a chloroquine. It is an enantiomer of a (S)-chloroquine. | CCN(CC)CCC[C@@H](C)NC1=C2C=CC(=CC2=NC=C1)Cl |
Beta-L-fucose is a L-fucopyranose with a beta-configuration at the anomeric position. It is an enantiomer of a beta-D-fucose. | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O |
Equilenin is a 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women. It has a role as a mammalian metabolite and an antioxidant. It is a 3-hydroxy steroid and a 17-oxo steroid. | C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O |
Ile-Pro is a dipeptide formed from L-isoleucine and L-proline residues. It has a role as a metabolite. | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N |
Carboxymethyl-CoA is an S-alkyl-CoA having carboxymethyl as the S-alkyl component. It has a role as a Brassica napus metabolite and an EC 2.3.3.1 [citrate (Si)-synthase] inhibitor. | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O |
L-tryptophanium is the L-enantiomer of tryptophanium. It has a role as an animal metabolite and a plant metabolite. It is a conjugate acid of a L-tryptophan. It is an enantiomer of a D-tryptophanium. | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)[NH3+] |
N-acetyl-alpha-neuraminic acid is n-Acetylneuraminic acid with alpha configuration at the anomeric centre. It has a role as an epitope. It is functionally related to an alpha-neuraminic acid. It is a conjugate acid of a N-acetyl-alpha-neuraminate. | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O |
O-(4-trifluoroacetamidobenzylphosphonyl)chloramphenicol is a C-nitro compound that is a chloramphenicol phosphonate hapten which acts as a transition state analogue for the hydrolysis of chloramphenicol esters mediated by the catalytic antibody 7C8. It has a role as a hapten. It is an organochlorine compound, a C-nitro compound and a trifluoroacetamide. It is functionally related to a chloramphenicol. | C1=CC(=CC=C1CP(=O)(O)O[C@H](C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F |
Arachidonic acid is a long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14. It has a role as a human metabolite, an EC 3.1.1.1 (carboxylesterase) inhibitor, a Daphnia galeata metabolite and a mouse metabolite. It is an icosa-5,8,11,14-tetraenoic acid, an omega-6 fatty acid and a long-chain fatty acid. It is a conjugate acid of an arachidonate. It derives from a hydride of a (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene. | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O |
Alpha-cyclodextrin is a cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units. | C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O |
Thymidine 3'-monophosphate is a pyrimidine 2'-deoxyribonucleoside 3'-monophosphate having thymine as the nucleobase. It is a thymidine phosphate and a pyrimidine 2'-deoxyribonucleoside 3'-monophosphate. It is a conjugate acid of a thymidine 3'-monophosphate(2-). | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O |
L-alaninamide is an amino acid amide that is L-alanine in which the carboxy OH group is replaced by NH2. It is an amino acid amide and a L-alanine derivative. It is a conjugate base of a L-alaninamide(1+). | C[C@@H](C(=O)N)N |
Alpha-ribazole 5'-phosphate is a ribose monophosphate, a 1-ribosylbenzimidazole and a dimethylbenzimidazole. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to an alpha-ribazole. It is a conjugate acid of an alpha-ribazole 5'-phosphate(2-). | CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
Fumaric acid is a butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. It has a role as a food acidity regulator, a fundamental metabolite and a geroprotector. It is a conjugate acid of a fumarate(1-). | C(=C/C(=O)O)\C(=O)O |
Ac-Cha-Arg-Ala-Met-Cys(Acm)-Ser-Leu-NH2 is a seven-membered oligopeptide comprising Ac-Cha, Arg, Ala, Met, Cys(Acm), Ser and Leu-NH2 residues coupled in sequence. | C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1CCCCC1)NC(=O)C |
Ac-Cha-Arg-MePhg-Met-Ala-Ser-tLeu-NH2 is a synthetic seven-membered oligopeptide comprising Ac-Cha, Arg, MePhg, Met, Ala, Ser and tLeu-NH2 residues coupled in sequence. | C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N)C(C)(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C1=CC=CC=C1)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2CCCCC2)NC(=O)C |
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2 is an eight-membered oligopeptide consisting of Asp, Tyr, Met, Gly, Trp, Met, As and Phe-NH2 residues joined in sequence. It has a role as a human metabolite, a rat metabolite and a mouse metabolite. It is an oligopeptide and a peptidyl amide. | CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)O)N |
(7R,8S)-7,8-diaminononanoic acid is the isomer of 7,8-diaminononanoic acid having (R)- and (S)- configurations at C-7 and C-8, respectively; an intermediate in the biosynthetic pathway of biotin. As biotin is made exclusively in plants and microorganisms, both the chemical structure and biosynthetic enzymes of DAPA are targets for the development of herbicides and antimicrobial drugs. It is a conjugate acid of a (7R,8S)-7,8-diammoniononanoate. | C[C@@H]([C@@H](CCCCCC(=O)O)N)N |
(4R,5S)-dethiobiotin is the (4R,5S)-isomer of dethiobiotin. It is a conjugate acid of a (4R,5S)-dethiobiotin(1-). It is an enantiomer of a (4S,5R)-dethiobiotin. | C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O |
L-arginine amide(1+) is a guanidinium ion resulting from the protonation of the guanidinyl group of L-arginine amide. It is a conjugate acid of a L-arginine amide. | C(C[C@@H](C(=O)N)N)C[NH+]=C(N)N |
4-deoxy-Delta(4)-beta-D-GlcpA is a uronic acid that is beta-D-glucuronic acid in which the hydroxy group at position 4 and the hydrogen at position 5 have been eliminated with the introduction of a double bond between positions 4 and 5. It is a uronic acid and an alpha,beta-unsaturated monocarboxylic acid. | C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O |
Prostaglandin H2 is an oxylipin, an olefinic compound, a secondary alcohol and a prostaglandins H. It has a role as a mouse metabolite. It is a conjugate acid of a prostaglandin H2(1-). | CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)O |
L-rhamnitol is a hexitol that is 1-deoxy derivative of L-mannitol. | C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O |
N-acetyl-beta-neuraminic acid is n-Acetylneuraminic acid with beta configuration at the anomeric centre. It has a role as an epitope. It is functionally related to a beta-neuraminic acid. It is a conjugate acid of a N-acetyl-beta-neuraminate. | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O |
Farnesol is a farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. It has a role as a plant metabolite, a fungal metabolite and an antimicrobial agent. It is a farnesane sesquiterpenoid, a primary alcohol and a polyprenol. | CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C |
(5Z,11Z,14Z)-icosatrienoic acid is an icosatrienoic acid in which the three double bonds have Z configuration and are located at positions 5, 11 and 14. It has a role as a plant metabolite and an anti-inflammatory agent. It is a conjugate acid of a (5Z,11Z,14Z)-icosatrienoate. | CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)O |
Phosphoramidon is a dipeptide isolated from the cultures of Streptomyces tanashiensis. It has a role as a bacterial metabolite, an EC 3.4.24.11 (neprilysin) inhibitor and an EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor. It is a deoxyaldohexose phosphate and a dipeptide. | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O |
(S)-lipoic acid is the (S)-enantiomer of lipoic acid. Not found in nature, it may exert detrimental effects on biosystems. It is a lipoic acid, a heterocyclic fatty acid, a thia fatty acid and a member of dithiolanes. It is functionally related to an octanoic acid. It is an enantiomer of a (R)-lipoic acid. | C1CSS[C@H]1CCCCC(=O)O |
(3S)-3-hydroxy-3-methylglutaryl-CoA is a 3-hydroxy-3-methylglutaryl-CoA where the 3-hydroxy-3-methylglutaryl component has (S)-configuration. It has a role as a human metabolite and a mouse metabolite. It is a 3-hydroxy-3-methylglutaryl-CoA and a 3-hydroxy fatty acyl-CoA. It is a conjugate acid of a (3S)-3-hydroxy-3-methylglutaryl-CoA(5-). | C[C@](CC(=O)O)(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O |
Bombykol is a long-chain primary fatty alcohol. It has a role as a pheromone. | CCC/C=C\C=C\CCCCCCCCCO |
6-oxouridine 5'-phosphate is a pyrimidine ribonucleoside 5'-monophosphate that is the 6-oxo derivative of UMP. It is functionally related to a uridine 5'-monophosphate and a barbituric acid. | C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
(S)-atrolactic acid is an atrolactic acid. | C[C@](C1=CC=CC=C1)(C(=O)O)O |
Resveratrol is a stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. It has a role as a phytoalexin, an antioxidant, a glioma-associated oncogene inhibitor and a geroprotector. It is a stilbenol, a polyphenol and a member of resorcinols. | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O |
(R)-dihydrolipoamide is a dihydrolipoamide. | C(CCC(=O)N)C[C@H](CCS)S |
1,5-anhydro-D-mannitol is an anhydro sugar. It is functionally related to a D-mannitol. | C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine is a carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 2-pro-S, 4-pro-S and 5-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively. It is a carbobicyclic compound, a primary alcohol, a secondary alcohol, a C-glycosyl pyrimidine and a pyrimidone. It is functionally related to a thymine. | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O |
6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine is a pyrimidone that is thymine which is substituted at position 6 by a [(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl group. It is a pyrimidone and a primary alcohol. It is functionally related to a thymine. | CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C |
2-deoxy-2-fluoro-alpha-D-glucose is a 2-deoxy-2-fluoro-D-glucopyranose. It derives from a hydride of an alpha-D-glucose. | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O |
Methyl beta-D-glucopyranoside is a beta-D-glucopyranoside having a methyl substituent at the anomeric position. It is a beta-D-glucoside and a methyl D-glucoside. | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
(R)-halothane is a halothane. It is an enantiomer of a (S)-halothane. | [C@@H](C(F)(F)F)(Cl)Br |
L-methionine sulfone is an L-methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. It has a role as an animal metabolite. It is a L-methionine derivative, a non-proteinogenic L-alpha-amino acid and a methionine sulfone. It is a tautomer of a methionine sulfone zwitterion. | CS(=O)(=O)CC[C@@H](C(=O)O)N |
Octyl alpha-D-glucopyranoside is an alpha-D-glucoside in which the anomeric hydrogen of alpha-D-glucopyranose is substituted by an octyl group. | CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Octanoyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of octanoic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to an octanoic acid. It is a conjugate acid of an octanoyl-CoA(4-). | CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
DT(6-4)T is a single-stranded DNA oligonucleotide consisting of two thymidine molecules linked (3'->5') and also with a C6-C4 bond. It results from irradiation at 254 nm of normal dTpT (PDB entry: 1EHL). | CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C(=O)NC5=O)(C)O)O[C@@H]4CO)O)O |
All-trans-retinol is a retinol in which all four exocyclic double bonds have E- (trans-) geometry. It has a role as a human metabolite, a mouse metabolite and a plant metabolite. It is a retinol and a vitamin A. | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C |