anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC is a phosphatidylcholine 24:0 in which the acyl groups specified at positions 1 and 2 are tetradecanoyl and decanoyl respectively. It is a phosphatidylcholine 24:0, a tetradecanoate ester and a decanoate ester.
The molecule CCCC=O is a member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals. It has a role as a biomarker, an Escherichia coli metabolite and a mouse metabolite.
The molecule C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+] is an organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow. It has a role as a food colouring, a histological dye and a two-colour indicator. It contains an indigo carmine(2-).
The molecule CCNc1nc(Cl)nc(NCC)n1 CCNc1nc(Cl)nc(NCC)n1 is A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as chloro-1,3,5-triazine , diamino-1,3,5-triazine .
The molecule C[C@@H](C=O)C(=O)[O-] is 2-Methyl-3-oxopropanoate with S configuration at the chiral centre. It is a conjugate base of a (S)-methylmalonaldehydic acid. It is an enantiomer of a (R)-methylmalonate semialdehyde.
The molecule CCCCCCCCCCCCCCCCS(=O)(=O)CC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)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)O)O)O)O)O)CS(=O)(=O)CCCCCCCCCCCCCCCC is a glycoside that consists of alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose where the hydrogen of the anomeric OH group is substituted by a 3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl group. It is a glycoside, a sulfone and a trisaccharide derivative.
The molecule C(C(=O)C(=O)[O-])[C@](CC(=O)[O-])(C(=O)[O-])O is a 2-hydroxy-4-oxobutane-1,2,4-tricarboxylate resulting from the deprotonation of all three carboxy groups of (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid; the major species at pH 7.3. It is a conjugate base of a (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid.
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=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 is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA.
The molecule CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)Br CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)Br is (3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O is a D-fructofuranose 2,6-bisphosphate with a beta-configuration at the anomeric centre. It has a role as a human metabolite and a mouse metabolite. It derives from a beta-D-fructofuranose. It is a conjugate acid of a beta-D-fructofuranose 2,6-bisphosphate(4-).
The molecule O1[C@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@H]1CO O1[C@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@H]1CO is A glycosyl alditol derivative that is N-acetyl-D-galactosaminitol in which the hydroxy group at position 3 has been converted into the corresponding 2-acetamido-2-deoxy-alpha-D-galactopyranosyl derivative. Its functional parent is N-acetyl-alpha-D-galactosamine . Its functional parent is N-acetyl-D-galactosaminitol . It is also related to or classified as glycosyl alditol derivative .
The molecule CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O is a N-acylsphinganine-1-phosphocholine in which the acyl group specified is henicosanoyl. It has a role as a mouse metabolite. It derives from a henicosanoic acid.
The molecule C1=CC(=O)NC(=C1C(=O)O)O is a member of pyridines. It derives from a nicotinic acid. It is a conjugate acid of a 2,6-dihydroxynicotinate.
The molecule N1([O])C(C(CC1(C)C)C#N)(C)C N1([O])C(C(CC1(C)C)C#N)(C)C is 3-cyano-PROXYL. Its functional parent is PROXYL . It is also related to or classified as aminoxyls , pyrrolidinecarbonitrile .
The molecule COC1=C(C=CC(=C1)C=C)OS(=O)(=O)O is an aryl sulfate that is 4-vinylcatechol in which the two phenolic hydrogens are replaced by methyl and sulfo groups. It is an aryl sulfate, a monomethoxybenzene and a member of styrenes. It derives from a catechol. It is a conjugate acid of a 4-vinylguaiacol sulfate(1-).
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is N-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule 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)NCCSC(=O)C[C@@H](C(=O)O)O)O is a 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 3-carboxy group of (3S)-3-carboxy-3-hydroxypropanoic acid. It derives from a (S)-malic acid and a butyryl-CoA. It is a conjugate acid of a (3S)-3-carboxy-3-hydroxypropanoyl-CoA(5-).
The molecule CCCCCC/C=C\\CCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C is an acetate ester obtained from the formal condensation of acetic acid with the hydroxy group at position 1 of 6-[(8Z)-pentadec-8-en-1-yl]benzene-1,2,4-triol. Isolated from the dried fruits of Ardisia colorata, it exhibits scavenging activity towards DPPH radicals and cytotoxicity against murine breast cancer cell line, FM3A. It has a role as a metabolite, an antineoplastic agent and a radical scavenger. It is a member of resorcinols and an acetate ester. It derives from a 6-[(8Z)-pentadec-8-en-1-yl]benzene-1,2,4-triol.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3 is N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(5-pyrimidinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CN=CC=C5 C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CN=CC=C5 is (6S,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCC2=CC=CC=C2C(F)(F)F)NC(=O)[C@H](CC(=O)O)NC(=O)C is a mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising a {3-[2-(trifluoromethyl)phenyl]propanoyl} group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine. It has a role as a mimotope. It is a lipopeptide and a polypeptide.
The molecule O=C(O)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](NC(=O)C)NC1 O=C(O)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](NC(=O)C)NC1 is A-72363 A-2.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .
The molecule CCCCCCCC/C=C/C(=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 is a medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-undecenoic acid. It is a medium-chain fatty acyl-CoA, a trans-2-enoyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a trans-undec-2-enoic acid. It is a conjugate acid of a trans-2-undecenoyl-CoA(4-).
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(=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 is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA; major species at pH 7.3. It is a polyunsaturated fatty acyl-CoA(4-) and an ultra-long-chain fatty acyl-CoA(4-). It is a conjugate base of a (10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA.
The molecule C[C@H]1CCCC(CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1)NOCCCCCC(O)=O C[C@H]1CCCC(CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1)NOCCCCCC(O)=O is A macrolide that is an immunizing hapten of the mycotoxin zearalenone which incorporates a carboxylated[(5-carboxypentyl)oxy]imino spacer arm through the carbonyl function at C-7. It has the role of hapten . Its functional parent is zearalenone . It is also related to or classified as macrolide  . It is also related to or classified as oxo carboxylic acid .
The molecule C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCCN)C is an artemisinin derivative in which the lactone of (+)-artemisinin has been converted into the corresponding lactol 2-aminoethyl ether [beta (S) configuration at the new stereocentre]. It is an artemisinin derivative and a primary amino compound.
The molecule C1=CC(=CC=C1CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)O is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by p-hydroxybenzyl groups.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C)O)O)O)O)O)O)O is a disaccharide derivative that consists of 5-hydroxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a member of chromones, a disaccharide derivative, a member of phenols and a rutinoside.
The molecule CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N is a dipeptide obtained by formal condensation of the carboxy group of L-aspartic acid with the amino group of L-methionine. It derives from a L-aspartic acid and a L-methionine.
The molecule O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H]([C@H](C=C1)O)O)C)C)CC(C)C O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H]([C@H](C=C1)O)O)C)C)CC(C)C is Amiaspochalasin D. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C[C@H]1CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C C[C@H]1CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C is LSM-40646. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC is LSM-14344. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(NCCCCCN)/C=C/C1=CC(OC)=C(O)C=C1 O=C(NCCCCCN)/C=C/C1=CC(OC)=C(O)C=C1 is Feruloylcadaverine. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)COP(=O)(O)O)O is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase It has a role as a eukaryotic metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate and a beta-D-glucoside. It derives from a 5-hydroxymethyluracil.
The molecule [H]C(=CC1=CC=C(O)C(O)=C1)C(=O)OC2CC(O)(C(=O)O)CC(OC(=O)C([H])=CC3=CC=C(O)C(O)=C3)C2OC(=O)C([H])=CC4=CC=C(O)C(O)=C4 [H]C(=CC1=CC=C(O)C(O)=C1)C(=O)OC2CC(O)(C(=O)O)CC(OC(=O)C([H])=CC3=CC=C(O)C(O)=C3)C2OC(=O)C([H])=CC4=CC=C(O)C(O)=C4 is A carboxylic ester that is the triester obtained by the condensation of the hydroxy groups at positions 3, 4, and 5 of (-)-quinic acid with the carboxy group of caffeic acid. It has the role of antiviral agent . It has the role of anti-HIV agent . It has the role of nootropic agent . It has the role of anti-inflammatory agent . Its functional parent is (-)-quinic acid . Its functional parent is caffeic acid . It is also related to or classified as catechols  . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .
The molecule [H][C@]12CCC(CO)=C[C@H](O)[C@]1(C)CC[C@@]1(C)CCC(C(C)C)=C21 [H][C@]12CCC(CO)=C[C@H](O)[C@]1(C)CC[C@@]1(C)CCC(C(C)C)=C21 is A tricyclic diterpenoid with formula C20H32O2. It has the role of fungal metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as diol  . It is also related to or classified as polycyclic olefin , carbotricyclic compound , tricyclic diterpenoid .
The molecule O=C(N)NC(C(=O)[O-])C(C)C O=C(N)NC(C(=O)[O-])C(C)C is an N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-carbamoyl-L-valine; major microspecies at pH 7.3. It is also related to or classified as N-carbamoyl-L-alpha-amino acid anion  .
The molecule C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(CCC(=C[C@@H]2O)C)[H])C C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(CCC(=C[C@@H]2O)C)[H])C is erinacol. It is also related to or classified as diterpene  . It is also related to or classified as polycyclic olefin , carbotricyclic compound .
The molecule OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O is the D-enantiomer of allopyranose. It has the role of antioxidant . It is also related to or classified as D-allose  . It is also related to or classified as allopyranose  .
The molecule CC(=O)N[C@@H](CSO)C(O)=O CC(=O)N[C@@H](CSO)C(O)=O is an L-cysteine derivative that is L-cysteine in which the thiol and amino groups are replaced by hydroxysulfanediyl and acetylamino groups, respectively. It is a conjugate acid of N-acetyl-S-hydroxy-L-cysteine(1-) . It is also related to or classified as S-substituted N-acetyl-L-cysteine  . It is also related to or classified as SO-thioperoxol  .
The molecule O=C(OC1CC(O)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1OC(=O)C=CC3=CC=C(O)C(O)=C3)C=CC4=CC=C(O)C(O)=C4 O=C(OC1CC(O)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1OC(=O)C=CC3=CC=C(O)C(O)=C3)C=CC4=CC=C(O)C(O)=C4 is A 3,4,5-tricaffeoylquinic acid in which the double bonds adopt (E)-configuration. It is also related to or classified as 3,4,5-tricaffeoylquinic acid  .
The molecule CC(=O)N[C@@H](CSO)C([O-])=O CC(=O)N[C@@H](CSO)C([O-])=O is an S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-hydroxy-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as S-substituted N-acetyl-L-cysteinate  .
The molecule OC=1C=CC=CC1C=NCC(N=CC=2C=CC=CC2O)C OC=1C=CC=CC1C=NCC(N=CC=2C=CC=CC2O)C is salpn is used as a fuel additive as a metal deactivator in motor oils. It is also related to or classified as organic molecular entity .
The molecule C(C=1C=CC=CC1)[S@+](C[C@@H](C([O-])=O)NC(=O)C)[O-] C(C=1C=CC=CC1)[S@+](C[C@@H](C([O-])=O)NC(=O)C)[O-] is (R)-N-acetyl-S-benzyl-L-cysteine sulfoxide(1-). It is also related to or classified as sulfoxide  . It is also related to or classified as alpha-amino-acid anion .
The molecule OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O is the L-enantiomer of mannopyranose. It is also related to or classified as L-mannose  . It is also related to or classified as mannopyranose  .
The molecule CC(=O)N[C@@H](CSCC1=CC=CC=C1)C([O-])=O CC(=O)N[C@@H](CSCC1=CC=CC=C1)C([O-])=O is an S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-benzyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as S-substituted N-acetyl-L-cysteinate  .
The molecule FC(F)(F)C1(CC1)C1=CC=C(CC(=O)NC2=NN(CC3=CC=C(C=N3)C#N)C=C2)C=C1 FC(F)(F)C1(CC1)C1=CC=C(CC(=O)NC2=NN(CC3=CC=C(C=N3)C#N)C=C2)C=C1 is A secondary carboxamide resulting from the formal condensation of the carboxy group of {4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetic acid with the amino group of 6-[(3-amino-1H-pyrazol-1-yl)methyl]pyridine-3-carbonitrile. It is a selective, orally available T-type calcium channel blocker that is being studied as a potential new treatment in epilepsy. It has the role of T-type calcium channel blocker . It has the role of anticonvulsant . It is also related to or classified as secondary carboxamide  . It is also related to or classified as nitrile  .    It is also related to or classified as organofluorine compound  . It is also related to or classified as benzenes , pyrazoles , pyridines , cyclopropanes .
The molecule CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2=CC(Cl)=CC(F)=C2)CC1 CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2=CC(Cl)=CC(F)=C2)CC1 is ulixacaltamide. It has the role of T-type calcium channel blocker . It has the role of non-narcotic analgesic . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as benzamides , piperidines , monochlorobenzenes .
The molecule [H]C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO [H]C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO is A D-allose in open-chain form. It is also related to or classified as D-allose  . It is also related to or classified as aldehydo-allose  .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)OS(=O)(=O)[O-])=C)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)OS(=O)(=O)[O-])=C)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C is A steroid sulfate oxoanion that is the conjugate base of 25-hydroxyvitamin D3 sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as steroid sulfate oxoanion .
The molecule OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O is A L-allopyranose with an alpha-configuration a the anomeric position. It is also related to or classified as L-allopyranose  .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO is the 5beta-stereoisomer of bufol. It has the role of animal metabolite . It has the role of human urinary metabolite . It is also related to or classified as bufol  .
The molecule OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O is A D-allopyranose with a beta-configuration at the anomeric position. It is also related to or classified as D-allopyranose  .
The molecule C1[C@@]2(C=3CC[C@]4(C(C3CC[C@]2(C([C@H](C1)O)(C)C)[H])=CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])C)C C1[C@@]2(C=3CC[C@]4(C(C3CC[C@]2(C([C@H](C1)O)(C)C)[H])=CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])C)C is 4,4,24-trimethyl-5alpha-cholesta-8,14,24(28)-triene-3beta-ol. Its functional parent is eburicol . It is also related to or classified as Delta(14) steroid  . It is also related to or classified as 3beta-sterol  .
The molecule C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])C=O)C)C C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])C=O)C)C is 32-ketoeburicol. Its functional parent is eburicol . It is also related to or classified as 14alpha-formyl steroid  . It is also related to or classified as 3beta-sterol  .
The molecule C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])CO)C)C C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])CO)C)C is 32-hydroxyeburicol. Its functional parent is eburicol . It is also related to or classified as 14alpha-hydroxymethyl steroid  . It is also related to or classified as 3beta-sterol  .
The molecule OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O is A D-allopyranose with an alpha-configuration at the anomeric position. It is also related to or classified as D-allopyranose  .
The molecule [H]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO [H]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO is the L-enantiomer of aldehydo-mannose. It is also related to or classified as L-mannose  . It is also related to or classified as aldehydo-mannose  .
The molecule O1CC=CC(C1(O)C(O)O)=O O1CC=CC(C1(O)C(O)O)=O is antibiotic produced by some fungi. It is also related to or classified as anhydrohexose  .
The molecule NCCCC[C@H](NC(=O)CN)C(O)=O NCCCC[C@H](NC(=O)CN)C(O)=O is A dipeptide formed from glycine and L-lysine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O is A L-gulopyranose with an alpha-configuration at the anomeric position. It is also related to or classified as L-gulopyranose  .
The molecule [NH3+]CCCC[C@H](NC(=O)C[NH3+])C([O-])=O [NH3+]CCCC[C@H](NC(=O)C[NH3+])C([O-])=O is A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Gly-Lys; major species at pH 7.3. It is a conjugate acid of Gly-Lys . It is also related to or classified as peptide cation .
The molecule Cl.[H]C(O)(CC(=O)[O-])C[N+](C)(C)C Cl.[H]C(O)(CC(=O)[O-])C[N+](C)(C)C is levocarnitine chloride. It has the role of anti-inflammatory agent . It is also related to or classified as organic molecular entity .
The molecule CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O is an organic cation that is the conjugate acid of demethyllactenocin, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of demethyllactenocin . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCCCCCCCCCCCCCCCCCC(C)C CCCCCCCCCCCCCCCCCCCCC(C)C is 2-methyldocosane. It has the role of animal metabolite . It is also related to or classified as organic molecular entity .
The molecule O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C)O)[NH+](C)C)O)O[C@H]2[C@H](C[C@H](C(C=CC(=C[C@@H]([C@H](OC(C[C@H]([C@@H]2C)O)=O)CC)CO[C@@H]3O[C@@H]([C@H]([C@H]([C@H]3OC)O)O)C)C)=O)C)CC=O O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C)O)[NH+](C)C)O)O[C@H]2[C@H](C[C@H](C(C=CC(=C[C@@H]([C@H](OC(C[C@H]([C@@H]2C)O)=O)CC)CO[C@@H]3O[C@@H]([C@H]([C@H]([C@H]3OC)O)O)C)C)=O)C)CC=O is lactenocin(1+). Its functional parent is demethyllactenocin(1+) . It is also related to or classified as macrolide  .
The molecule C1(C[C@@H](C(=O)O)N)=CC=C(C=C1)Cl C1(C[C@@H](C(=O)O)N)=CC=C(C=C1)Cl is A non-proteinogenic L-alpha-amino acid that is L-phenylalanine in which the meta-hydrogen of the phenyl group has been replaced by a chlorine. It is also related to or classified as chloroamino acid , monochlorobenzenes , non-proteinogenic L-alpha-amino acid , L-phenylalanine derivative .