anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(=O)([C@@H](N)C(C)C)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)C C(=O)([C@@H](N)C(C)C)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)C is A tripeptide composed of L-valine, L-alanine and L-lysine residues joined in sequence. It is also related to or classified as tripeptide  .
The molecule C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl is a chlorophenylethane that is 1,1,1-trichloro-2,2-diphenylethane substituted by additional chloro substituents at positions 4 of the phenyl substituents. It is a commonly used organochlorine insecticide. It has a role as a bridged diphenyl acaricide, a carcinogenic agent, a persistent organic pollutant and an endocrine disruptor. It is an organochlorine insecticide, a benzenoid aromatic compound, a member of monochlorobenzenes and a chlorophenylethane. It derives from a 1,1,1-trichloro-2,2-diphenylethane and a 4,4'-dichlorodiphenylmethane.
The molecule CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O is Fungichromin. It is also related to or classified as macrolide  . It is also related to or classified as antibiotic antifungal drug .
The molecule S([C@]12N(O[C@H]3[C@H](O)C=C[C@H]([C@]3(C1)O)O)C(=O)[C@]4(OC=5C(OC)=C(OC)C=CC5[C@H]4SC)N(C2=O)C)C S([C@]12N(O[C@H]3[C@H](O)C=C[C@H]([C@]3(C1)O)O)C(=O)[C@]4(OC=5C(OC)=C(OC)C=CC5[C@H]4SC)N(C2=O)C)C is Penicisulfuranol E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C(NC=1O[C@@H]2CCCCCCCCCC[C@H]2N1)/C=C/C3=CC=CC=C3 O=C(NC=1O[C@@H]2CCCCCCCCCC[C@H]2N1)/C=C/C3=CC=CC=C3 is N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C[C@H](C(O)=O)c1ccc(C2CCCCC2)c2ccccc12 C[C@H](C(O)=O)c1ccc(C2CCCCC2)c2ccccc12 is the R-enantiomer of the racemic drug vedaprofen. The racemate is used for control of pain and inflammation particularly associated with chronic musculoskeletal disorders and soft tissue trauma in dogs and horses and for treatment of pain due to horse colic. It is also related to or classified as 2-(4-cyclohexyl-1-naphthyl)propanoic acid  .
The molecule [C@@H]1(O[C@@H]([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO)CO[C@H]7O[C@@H]([C@H]([C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]8O)O)CO[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]%10[C@H]([C@H]([C@@H]([C@H](O%10)CO)O)O)O)O)CO [C@@H]1(O[C@@H]([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO)CO[C@H]7O[C@@H]([C@H]([C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]8O)O)CO[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]%10[C@H]([C@H]([C@@H]([C@H](O%10)CO)O)O)O)O)CO is A branched decasaccharide comprising six D-arabinofuranose and four mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->2)-alpha-mannosyl-(1->5)-alpha-arabinosyl-(1->2)-alpha-arabinosyl tetrasaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue. It is also related to or classified as decasaccharide .
The molecule C1COCCN1CCCS(=O)(=O)O is a Good's buffer substance, pKa = 7.2 at 20 ℃. It is a member of morpholines, a MOPS and an organosulfonic acid. It is a conjugate acid of a 3-(N-morpholino)propanesulfonate. It is a tautomer of a 3-(N-morpholiniumyl)propanesulfonate.
The molecule CC1CCC(CC1=O)C(C)=C CC1CCC(CC1=O)C(C)=C is A dihydrocarvone resulting from reduction of the endocyclic cyclohexene double bond. It has the role of plant metabolite . It is also related to or classified as dihydrocarvones .
The molecule C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O is a monosaccharide derivative that is anthracene-9,10-dione substituted by a beta-D-glucopyranosyloxy group at position 1. It is an anthraquinone, a beta-D-glucoside and a monosaccharide derivative.
The molecule C=1[C@@]2([C@@](C[C@H](O)[C@]2(C(=O)[O-])NC(CS(N)(=O)=O)=O)(C(C(N)=O)=CN1)[H])[H] C=1[C@@]2([C@@](C[C@H](O)[C@]2(C(=O)[O-])NC(CS(N)(=O)=O)=O)(C(C(N)=O)=CN1)[H])[H] is major microspecies at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as carboxylic acid anion  . It is also related to or classified as sulfonamide  .
The molecule Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@@]3(SC)C(=O)N(C)[C@]4(C(N3O2)=O)OC=5C(OC)=C(OC)C=CC5[C@H]4SC Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@@]3(SC)C(=O)N(C)[C@]4(C(N3O2)=O)OC=5C(OC)=C(OC)C=CC5[C@H]4SC is Penicisulfuranol D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC is A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl). It has the role of antigen . It has the role of mouse metabolite . It is also related to or classified as phosphatidylcholine 28:0  . It is also related to or classified as tetradecanoate ester  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule C(/C(=C(\C/C(=C(\CCCCC)/[2H])/[2H])/[2H])/[2H])CCCCCCC(O)=O C(/C(=C(\C/C(=C(\CCCCC)/[2H])/[2H])/[2H])/[2H])CCCCCCC(O)=O is Linoleic acid(d4). It is also related to or classified as octadecadienoic acid , deuterated fatty acid .
The molecule NCCCNCCS NCCCNCCS is an alkanethiol that is the N-3-aminopropyl derivative of cysteamine. Used as the S-phosphorylated prodrug, amifostine, for cytoprotection in cancer chemotherapy and radiotherapy. It has the role of antioxidant . It has the role of drug metabolite . It has the role of radiation protective agent . Its functional parent is cysteamine . It is also related to or classified as diamine  . It is also related to or classified as alkanethiol  .
The molecule CCCC[N+]1(C2=CC=CC=C2I(=O)(O1)[O-])C is a benziodoxazole compound having hydroxy and oxo substituents at the 1-position and methyl and n-butyl substituents at the 3-position.
The molecule [Na+].[Na+].O=C1O[Sb-]23OC1C1O[Sb-]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O [Na+].[Na+].O=C1O[Sb-]23OC1C1O[Sb-]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O is disodium bis[mu-tartrato(4-)]diantimonate(2-). It has the role of schistosomicide drug . It is also related to or classified as antimony coordination entity .
The molecule C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C[C@@H](O)C1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C[C@@H](O)C1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O is Urdamycin F.  It is also related to or classified as glycoside  . It is also related to or classified as anthraquinone .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is N-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@H]([C@H]([C@@H](C1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO O1[C@@H]([C@H]([C@@H](C1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO is A hexasaccharide composed of two mannopyranose and four arabinofuranose residues in an alpha(1->2), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence. It is also related to or classified as hexasaccharide .
The molecule CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-] is an organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor, an acid-base indicator, a fluorochrome, an antidepressant, a cardioprotective agent, an EC 3.1.1.8 (cholinesterase) inhibitor, a histological dye, an EC 4.6.1.2 (guanylate cyclase) inhibitor, an antioxidant, an antimicrobial agent, a neuroprotective agent, a physical tracer and an antimalarial. It contains a 3,7-bis(dimethylamino)phenothiazin-5-ium.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 is A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of hepatoprotective agent . It has the role of radiation protective agent . It has the role of apoptosis inducer . It has the role of plant metabolite .  It is also related to or classified as tocotrienol  . It is also related to or classified as vitamin E .
The molecule CC1=C(C(CCC1O)(C)CO)/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C is a retinoid anion that is the conjugate base of all-trans-4,16-dihydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a retinoid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of an all-trans-4,16-dihydroxyretinoic acid.
The molecule CCCCC[C@@H](CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)O)O)O is a prostaglandins Falpha that is prost-5-en-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It has a role as a rat metabolite. It is a prostaglandins Falpha and a hydroxy monocarboxylic acid. It derives from a prostaglandin F2alpha. It is a conjugate acid of a 13,14-dihydroprostaglandin F2alpha(1-).
The molecule CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is an acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of cis-dodec-3-enoyl-CoA; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule [O-]C(=O)C1=[NH+]CCC1 [O-]C(=O)C1=[NH+]CCC1 is A zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of 1-pyrroline-2-carboxylic acid; major species at pH 7.3. It is a conjugate acid of 1-pyrroline-2-carboxylate . It is also related to or classified as zwitterion  .
The molecule CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O is the L-enantiomer of pinitol. Its functional parent is 1L-chiro-inositol . It is also related to or classified as pinitol  .
The molecule CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)OC(C)C CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)OC(C)C is 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester.  It is also related to or classified as isopropyl ester  . It is also related to or classified as coumarins .
The molecule CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N is an imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by an amino group. A mutagenic compound found in cooked beef. It has a role as a mutagen, a carcinogenic agent, a genotoxin and a Maillard reaction product. It is an imidazoquinoxaline and an aromatic amine.
The molecule O=C1N(C(C(=O)NC1C(CC)C)CCCNC(=O)CCC(=O)OC(C(O)C)C)C O=C1N(C(C(=O)NC1C(CC)C)CCCNC(=O)CCC(=O)OC(C(O)C)C)C is Atroviridetide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tetrapeptide comprising (2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl, L-valyl, L-valyl and L-aspartic acid units joined in sequence. It has the role of protease inhibitor . It has the role of EC 3.4.11.* (aminopeptidase) inhibitor . It is also related to or classified as tetrapeptide  .
The molecule N1(C(C(C/C=C\CCCC(=O)O)=C(C1=O)\C=C\[C@H](CCCCC)O)C)CCCC[C@@H](C(=O)O)N N1(C(C(C/C=C\CCCC(=O)O)=C(C1=O)\C=C\[C@H](CCCCC)O)C)CCCC[C@@H](C(=O)O)N is an L-lysine derivative that is a gamma-lactam adduct formed between L-lysine and levuloglandin E2 (LGE2). Its functional parent is levuglandin E2 . It is also related to or classified as L-lysine derivative .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)/C)/C)/C)C is an anionic phospholipid that is the conjugate base of 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic; major species at pH 7.3. It is an anionic phospholipid and a 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion. It is a conjugate base of a 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine.
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)C)[C@H](C)CO)C)CNC 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)C)[C@H](C)CO)C)CNC is N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N is an organic cation that is 5-phenylphenothiazin-5-ium substituted by amino groups at positions 3 and 7 as well as a nitro group at position 4. The chloride salt is the histological dye 'safranin O'. It has a role as a histological dye and a fluorochrome. It is an organic cation and a member of phenazines.
The molecule CC1=CC=CC=C1C=NNC2=C3C=CC(=CC3=NC=C2)Cl CC1=CC=CC=C1C=NNC2=C3C=CC(=CC3=NC=C2)Cl is 7-chloro-N-[(2-methylphenyl)methylideneamino]-4-quinolinamine.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 is the ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of  psoriasis, acne, and sun-damaged skin. It has the role of keratolytic drug . It has the role of prodrug . It has the role of teratogenic agent . Its functional parent is tazarotenic acid . It is also related to or classified as ethyl ester  .  It is also related to or classified as retinoid  .  It is also related to or classified as acetylenic compound  . It is also related to or classified as pyridines , thiochromane .
The molecule C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CS4 C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CS4 is 4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C is a morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. It has a role as an opioid analgesic, a mu-opioid receptor agonist and a prodrug. It derives from a morphine.
The molecule S1S[C@]23N(O[C@H]4[C@H](O)C=C[C@H]([C@]4(C2)O)O)C(=O)[C@@]5([C@H](S1)C6=C(C(OC)=C(OC)C=C6)O5)N(C3=O)C S1S[C@]23N(O[C@H]4[C@H](O)C=C[C@H]([C@]4(C2)O)O)C(=O)[C@@]5([C@H](S1)C6=C(C(OC)=C(OC)C=C6)O5)N(C3=O)C is Penicisulfuranol C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)[C@@H]1CC=CC(=N1)C(O)=O OC(=O)[C@@H]1CC=CC(=N1)C(O)=O is (S)-2,3-dihydrodipicolinic acid. It is a conjugate acid of (S)-2,3-dihydrodipicolinate(2-) . It is also related to or classified as 2,3-dihydrodipicolinic acid  .
The molecule C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N is a sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group. It is a sulfoxide and a monocarboxylic acid amide.
The molecule C/C=C(/C)\\C(=O)O[C@@H]1[C@H]([C@H]([C@H](C2=CC3=C(C(=C2C4=C(C(=C(C=C14)OC)OC)OC)OC)OCO3)OC(=O)C(C)C)C)C is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. It has a role as a plant metabolite. It is an aromatic ether, an enoate ester, a lignan, an organic heterotetracyclic compound and an oxacycle. It derives from an angelic acid.
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N is an angiotensin compound consisting of the linear heptapeptide sequence L-Asp-L-Arg-L-Val-L-Tyr-L-Ile-L-His-L-Pro. It has a role as a vasodilator agent. It is a tautomer of an Ile(5)-angiotensin II (1-7) dizwitterion.
The molecule NC(NCC[C@H](C(C([O-])=O)=O)C)=[NH2+] NC(NCC[C@H](C(C([O-])=O)=O)C)=[NH2+] is major species at pH 7.3. It is also related to or classified as 5-guanidino-3-methyl-2-oxopentanoic acid zwitterion  .
The molecule S1S[C@@H]2C3=C(C(OC)=C(OC)C=C3)O[C@]24C(N5[C@]1(C(=O)N4C)C[C@]6(O)[C@H](O)C=C[C@H]([C@@H]6O5)O)=O S1S[C@@H]2C3=C(C(OC)=C(OC)C=C3)O[C@]24C(N5[C@]1(C(=O)N4C)C[C@]6(O)[C@H](O)C=C[C@H]([C@@H]6O5)O)=O is Penicisulfuranol B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=O)([C@@H](N)CC1=CNC2=C1C=CC=C2)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC=3C=CC=CC3)C(N)=O)CC(O)=O)CCSC C(=O)([C@@H](N)CC1=CNC2=C1C=CC=C2)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC=3C=CC=CC3)C(N)=O)CC(O)=O)CCSC is A tetrapeptide composed of L-tryptophan, L-methione, L-aspartic acid and L-phenylalaninamide residues joined in sequence. It has the role of anxiogenic . It has the role of human metabolite .  It is also related to or classified as tetrapeptide  . It is also related to or classified as peptidyl amide .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is tetraanion of P(1),P(4)-bis(5'-adenosyl) tetraphosphate arising from deprotonation of the tetraphosphate OH groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O is A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form. It has the role of human metabolite . It is also related to or classified as glycosylglucose .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)COS(=O)(=O)O)O)O)O)O is a linear amino trisaccharide consisting of a sialyl residue linked (2->6) to a galactosyl residue that in turn is linked (1->4) to an O-6-sulfated glucosaminyl residue at the reducing end. It has a role as an epitope. It is an amino trisaccharide, a glucosamine oligosaccharide and an oligosaccharide sulfate.
The molecule CCCC/C=C\\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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis-3-octenoic acid. It is a medium-chain fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It is a conjugate acid of a cis-3-octenoyl-CoA(4-).
The molecule C[C@@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O is the beta-anomer of L-fucose 1-phosphate. Its functional parent is beta-L-fucose . It is a conjugate acid of beta-L-fucose 1-phosphate(2-) . It is also related to or classified as L-fucopyranose 1-phosphate  .
The molecule CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O is A linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect. It has the role of micronutrient . It has the role of nutraceutical . It has the role of mouse metabolite . It is a conjugate acid of alpha-linolenate . It is a conjugate acid of (9Z,12Z,15Z)-octadeca-9,12,15-trienoate . It is also related to or classified as linolenic acid , omega-3 fatty acid .
The molecule O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@@H](O)C(=O)[C@@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@@H](O)C(=O)[C@@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C is Terreustoxin G. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl is 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation. It has a role as an anticonvulsant, a GABA modulator and an anxiolytic drug. It is a 1,4-benzodiazepinone and a member of monochlorobenzenes.
The molecule O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C=3C(O)=CC(O)=C(OC)C3 O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C=3C(O)=CC(O)=C(OC)C3 is 5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl is A symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It is also related to or classified as quaternary ammonium ion  .