anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCC/C=C\\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)O is a fatty acid ester obtained by formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the hydroxy group of 13-hydroxyoctadecanoic acid. It is a fatty acid ester and a monocarboxylic acid. It derives from a palmitoleic acid and a 13-hydroxyoctadecanoic acid. It is a conjugate acid of a 13-[(9Z)-hexadecenoyloxy]octadecanoate.
The molecule CN(C)C1=CC=C(C=C1)CC(\N=C/2\C=C(C3CCC3)NN2)=O CN(C)C1=CC=C(C=C1)CC(\N=C/2\C=C(C3CCC3)NN2)=O is CP681301. It has the role of antineoplastic agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule CC(=O)N[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)C(=O)O is a carbohydrate acid derivative comprising D-galactonic acid having the 2-hydroxy group replaced by acetamido. It is a carbohydrate acid derivative and a monocarboxylic acid. It derives from a D-galactonic acid. It is a conjugate acid of a N-acetyl-D-galactosaminate.
The molecule O=C1NC(C2C31C(C=C(C2C)C)C=C(CCC(O)C(O)C=CC3=O)C)CC(C)C O=C1NC(C2C31C(C=C(C2C)C)C=C(CCC(O)C(O)C=CC3=O)C)CC(C)C is (3E,9E)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C=1(NC=C(C1C)C=C)/C=C/2\N=C(\C=C/3\C(=C(\C(=C\C4=NC(C=C)C(=C4C=C)C)\N3)C)CCC(O)=O)C(=C2C)CCC(O)=O C=1(NC=C(C1C)C=C)/C=C/2\N=C(\C=C/3\C(=C(\C(=C\C4=NC(C=C)C(=C4C=C)C)\N3)C)CCC(O)=O)C(=C2C)CCC(O)=O is A linear tetrapyrrole obtained by degradation of heme by an enzyme isolated from Escherichia coli O157:H7. It is also related to or classified as linear tetrapyrrole , dicarboxylic acid .
The molecule [H]C(=O)CCCC([O-])=O [H]C(=O)CCCC([O-])=O is A 5-oxo monocarboxylic acid anion that is the conjugate base of 5-oxopentanoic acid, arising from deprotonation of the carboxy group. Its functional parent is valerate . It is also related to or classified as oxopentanoates  .   It is also related to or classified as omega-oxo fatty acid anion  . It is also related to or classified as 5-oxo monocarboxylic acid anion , aldehydic acid anion .
The molecule CC1=CC=C(C=C1)N2C(=O)/C(=C\\C=C\\C3=CC=C(C=C3)N(C)C)/C(=O)NC2=O is a member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a p-tolyl group while the carbon at position 5 is substituted by a (2E)-3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity. It has a role as an osteogenesis regulator. It is a member of barbiturates and a substituted aniline.
The molecule O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(=O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)C(O)=O O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(=O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)C(O)=O is Soyasapogenol E base + O-Hex-HexA. It is also related to or classified as triterpenoid saponin .
The molecule C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-].[K+] is a potassium salt having clavulanate as the counterion. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes and has only weak anitbiotic activity when administered alone. However it can be used in combination with amoxicillin trihydrate (under the trade name Augmentin) for treatment of a variety of bacterial infections, where it prevents antibiotic inactivation by microbial lactamases. It has a role as an antibacterial drug, an EC 3.5.2.6 (beta-lactamase) inhibitor and an antimicrobial agent. It contains a clavulanate.
The molecule OC12NC(=O)NC1=NC(=O)NC2=O OC12NC(=O)NC1=NC(=O)NC2=O is an oxopurine that is 5,7-dihydro-1H-purine-2,6,8(9H)-trione in which the hydrogen at position 5 is substituted by a hydroxy group. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is 5,7-dihydro-1H-purine-2,6,8(9H)-trione . It is a conjugate acid of 5-hydroxyisouric acid anion . It is also related to or classified as oxopurine .
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)[O-])O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)[NH+](C)C)O is a zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin N. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of an aclacinomycin N(1+). It is a tautomer of an aclacinomycin N.
The molecule CCCCCCCCCCCCOS(O)(=O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O CCCCCCCCCCCCOS(O)(=O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O is erythromycin estolate. It has the role of enzyme inhibitor . It is also related to or classified as aminoglycoside sulfate salt , erythromycin derivative .
The molecule C=1(NC=C(C1C)C=C)/C=C/2\[NH+]=C(\C=C/3\C(=C(\C(=C\C4=[NH+]C(C=C)C(=C4C=C)C)\N3)C)CCC([O-])=O)C(=C2C)CCC([O-])=O C=1(NC=C(C1C)C=C)/C=C/2\[NH+]=C(\C=C/3\C(=C(\C(=C\C4=[NH+]C(C=C)C(=C4C=C)C)\N3)C)CCC([O-])=O)C(=C2C)CCC([O-])=O is an  iminium betaine resulting from a transfer of two protons from the carboxy groups to the imino groups of anaerobilin; major species at pH 7.3. It is also related to or classified as iminium betaine .
The molecule CCCCCC(O)C=C CCCCCC(O)C=C is an alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi. It has the role of insect attractant . It has the role of volatile oil component . It has the role of antimicrobial agent . It has the role of fungal metabolite . It is also related to or classified as medium-chain fatty alcohol , alkenyl alcohol .
The molecule C1=CC(=CC2=[N+](C3=C(C=CC(=C3)N)C=C21)CCCC(=O)O)N is the cationic form of 3,6-diamino-10-(3-carboxypropyl)acridine. It has a role as a fluorochrome. It is a member of aminoacridines, a monocarboxylic acid and an acridinium ion.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)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 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the the carboxy groups of 2-carboxyhexacosanoic acid. It is a conjugate acid of a 2-carboxyhexacosanoyl-CoA(5-).
The molecule C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)[O-] is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ketorolac. The major species at pH 7.3. It is a monocarboxylic acid anion and an amino-acid anion. It is a conjugate base of a ketorolac.
The molecule CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CC[NH+](C)CC2)C(Cl)=C1[O-] CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CC[NH+](C)CC2)C(Cl)=C1[O-] is A zwitterion formed from JTE-607 by transfer of a proton from the hydroxy to the methylated amino group. Major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule C1(=CNC2=C1C=CC=C2)CN(C)C C1(=CNC2=C1C=CC=C2)CN(C)C is an aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. It has the role of antiviral agent . It has the role of antibacterial agent . It has the role of serotonergic antagonist . It has the role of plant metabolite . It is also related to or classified as aminoalkylindole , indole alkaloid , tertiary amino compound .
The molecule CC1C(=O)C(=C(C)O1)OS(=O)(=O)O CC1C(=O)C(=C(C)O1)OS(=O)(=O)O is furaneol sulfate. Its functional parent is 4-hydroxy-2,5-dimethylfuran-3-one . It is also related to or classified as oxolanes .
The molecule CCOC(=O)C1=C(NC(=C(C1C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)OCC)C)C is a dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying. It has a role as a calcium channel blocker. It is a dihydropyridine, a diester, a member of pentafluorobenzenes, an ethyl ester and a member of dicarboxylic acids and O-substituted derivatives.
The molecule CC(OP(O)(O)=O)C(O)=O CC(OP(O)(O)=O)C(O)=O is the phosphoric acid monoester resulting from formal condensation of the alcohol group of lactic acid with phosphoric acid. It is also related to or classified as carboxyalkyl phosphate .
The molecule O1C(CCC=2C1=C(C(=C(C2)O)C)C)(CCC(=O)O)C O1C(CCC=2C1=C(C(=C(C2)O)C)C)(CCC(=O)O)C is gamma-CEHC. It has the role of antioxidant . It is also related to or classified as benzopyran .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)OCCCCCCC=C)CO)O)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O is a glycoside formed between the branched tetrasaccharide alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->3)-beta-D-Gal and the alkenyl alcohol oct-7-en-1-ol. It contains an alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->3)-beta-D-Galp-yl group. It derives from an oct-7-en-1-ol.
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O is Sagittatoside B. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1[C@@H]([C@H]([C@H]([C@@H]1N)O)O)COP(O)(=O)O O1[C@@H]([C@H]([C@H]([C@@H]1N)O)O)COP(O)(=O)O is the beta-anomer of 5-phospho-D-ribosylamine. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of 5-phospho-beta-D-ribosylaminium(1-) . It is also related to or classified as 5-phospho-D-ribosylamine  .
The molecule C1=CC=C2C(=C1)C(=CN2)C[NH+](C)C C1=CC=C2C(=C1)C(=CN2)C[NH+](C)C is an organic cation obtained by protonation of the tertiary amino function of gramine; major species at pH 7.3. It is a conjugate acid of gramine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl is a monocarboxylic acid, a member of cyclopropanes and an organochlorine compound. It has a role as an antilipemic drug.
The molecule [PH4+] is a phosphorus hydride consisting of a single pentavalent phosphorus carrying five hydrogens. The parent hydride of the phosphorane class. It is a member of phosphoranes, a phosphorus hydride and a mononuclear parent hydride.
The molecule CCN(CC)CCNC(=O)C1=CC=C(C=C1)N=O is a benzamide obtained via formal condensation of 4-nitrosobenzoic acid and 2-(diethylamino)ethylamine. It is a member of benzamides and a nitroso compound.
The molecule Cl.Cl.CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CCN(C)CC2)C(Cl)=C1O Cl.Cl.CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CCN(C)CC2)C(Cl)=C1O is the dihydrochloride salt of JTE-607. It is a cytokine inhibitor which suppresses the production of proinflammatory cytokines such as interleukin (IL-1beta), IL-6, IL-8, granulocyte macrophage colony stimulating factor (GM-CSF), and tumor necrosis factor (TNF-alpha). It acts as a pro-drug which is cleaved by carboxylesterase 1 (CES1) to its active free acid form, which then binds to cleavage and polyadenylation specificity factor 3 (CPSF3). It has the role of CPSF3 inhibitor . It has the role of antineoplastic agent . It has the role of prodrug . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of cardioprotective agent . It is also related to or classified as hydrochloride .
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OCC(O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OCC(O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylglycerol that is 1-O-(beta-D-galactosyl)glycerol in which the hydroxy group at position 4 of the galactose ring has been converted to the corresponding alpha-D-glucopyranoside. Its functional parent is alpha-D-Glcp-(1->4)-beta-D-Galp . It is also related to or classified as glycosylglycerol .
The molecule CCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCCCC(=O)[O-] is a long-chain fatty acid anion that is the conjugate base of 11-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an anti-inflammatory agent, a human metabolite and a hypoglycemic agent. It is a conjugate base of an 11-PAHSA.
The molecule CC1=C2[C@H]3[C@H](C3(C)C)CC[C@@]2(CCC1)C is a sesquiterpene that is 1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene carrying foru methyl substituents at positions 1, 1, 3a and 7. It has a role as a volatile oil component and a plant metabolite. It is a sesquiterpene, a carbotricyclic compound and a polycyclic olefin.
The molecule C1=CC=C2C(=C1)C(=CN2)C[NH2+]C C1=CC=C2C(=C1)C(=CN2)C[NH2+]C is an organic cation obtained by protonation of the secondary amino function of 3-(methylaminomethyl)indole; major species at pH 7.3. It is also related to or classified as organic cation , ammonium ion derivative .
The molecule COCCNC(=O)C1=CC=C(C=C1)NC2=NC=C3C=C(C=CC3=N2)C4=CC=NC=C4 is a member of the class of quinazolines that is quinazoline which is substituted by a {4-[(2-methoxyethyl)carbamoyl]phenyl}nitrilo group and a pyridin-4-yl group at positions 2 and 6, respectively. It is a B-Raf and MKNK2 kinase inhibitor. It has a role as a B-Raf inhibitor, an antineoplastic agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of quinazolines, a member of pyridines, a secondary amino compound, a member of benzamides and an ether.
The molecule [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34 [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34 is A nitroarene that is pyrene substituted at the 1-position by a nitro group. A by-product of combustion,  it is the predominant nitrated polycyclic aromatic hydrocarbon emitted in a diesel engine. It has the role of carcinogenic agent . It is also related to or classified as nitroarene .
The molecule C=CCCCCCCCC(=O)O is a decenoic acid having the double bond at position 9. It has a role as a metabolite. It is a conjugate acid of a dec-9-enoate.
The molecule OC(=O)C1CCC(=O)N1 OC(=O)C1CCC(=O)N1 is an oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle. It has the role of human metabolite . It is a conjugate acid of 5-oxoprolinate . It is also related to or classified as oxoproline  . It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as pyrrolidinemonocarboxylic acid .
The molecule O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(O[C@@H]5OC([C@H](O)[C@H](O)C5O)CO)=C(O)C3O)CO O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(O[C@@H]5OC([C@H](O)[C@H](O)C5O)CO)=C(O)C3O)CO is Quercetagetin 3,7-diglucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H](CC(=O)[O-])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 an acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of (2S)-methylsuccinyl-CoA; major species at pH 7.3. It is a conjugate base of a (2S)-methylsuccinyl-CoA.
The molecule CCC(=O)NCC(CO)c1cccc2ccc(OC)cc12 CCC(=O)NCC(CO)c1cccc2ccc(OC)cc12 is N-[3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propionamide. Its functional parent is propionamide . It is also related to or classified as methoxynaphthalene .
The molecule NCc1c[nH]c2ccccc12 NCc1c[nH]c2ccccc12 is an aralkylamino compound that is indole substituted at position 3 by an aminomethyl group. It has the role of metabolite . It is also related to or classified as aminoalkylindole , aralkylamino compound .
The molecule C1CSC(=O)[C@H]1N is a thiolactone arising from formal condensation of the mercapto (sulfanyl) and carboxylic acid groups of L-homocysteine. It has a role as a human metabolite. It is a thiolactone and a member of tetrahydrothiophenes. It derives from a L-homocysteine.
The molecule C1C[C@@H](NC2=NC3=CC=CC=C3N2)C2=CC=CC=C2C1 C1C[C@@H](NC2=NC3=CC=CC=C3N2)C2=CC=CC=C2C1 is A member of the class of tetralins that is tetraline substituted by a 1H-benzimidazol-2-ylamino group at position 1 (the 1R-stereoisomer). It has the role of TRP channel blocker . It is also related to or classified as benzimidazoles , tetralins , secondary amino compound .
The molecule C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)[NH3+] is a nucleotide-sugar oxoanion that is the conjugate base of UDP-4-amino-4-deoxy-beta-L-arabinopyranose, arising from deprotonation of the diphosphate group and protonation of the amino group. It is a conjugate base of an UDP-4-amino-4-deoxy-beta-L-arabinopyranose.
The molecule COCCN(C(=O)C1=CC=C(F)C=C1)C1=CC=CC(C(=O)NC2=C(C=C(C=C2Br)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)=C1F COCCN(C(=O)C1=CC=C(F)C=C1)C1=CC=CC(C(=O)NC2=C(C=C(C=C2Br)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)=C1F is A secondary carboxamide resulting from the formal condensation of the carboxy group of 2-fluoro-3-[(4-fluorobenzoyl)(2-methoxyethyl)amino]benzoic acid with the amino group of 2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline. It is an insecticide developed by Zhejiang Udragon Pesticides and Chemicals Co. Ltd. It has the role of insecticide . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as ether  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as benzamides , bromobenzenes , (trifluoromethyl)benzenes .
The molecule CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O is prostaglandin E3. It has the role of human metabolite . It is a conjugate acid of prostaglandin E3(1-) . It is also related to or classified as prostaglandins E  .
The molecule C1=CC=C2C(=C1)C(=CN2)C[NH3+] C1=CC=C2C(=C1)C(=CN2)C[NH3+] is A primary ammonium ion obtained by protonation of the primary amino function of indol-3-ylmethylamine; major species at pH 7.3. It is a conjugate acid of indol-3-ylmethylamine . It is also related to or classified as primary ammonium ion  .
The molecule C1CC(=O)OC1C(=O)O is a gamma-lactone resulting from the formal intramolecular condensation of the alcoholic hydroxy group of 2-hydroxyglutaric acid with the carboxy group at position 5. It is a gamma-lactone and a monocarboxylic acid.
The molecule CCCCC/C=C\\C=C\\CCCCCCCCC(=O)[O-] is a polyunsaturated fatty acid anion that is the conjugate base of (10E,12Z)-octadecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (10E,12Z)-octadecadienoic acid.
The molecule C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CO)N is a dipeptide composed of L-serine and L-lysine joined by a peptide linkage. It is a constituent of bacterial cell wall peptidoglycan type A11.14 and A3alpha. It has a role as a bacterial metabolite. It derives from a L-serine and a L-lysine.
The molecule CCCCCCCCCCCCCCCCCC(=O)OCCO CCCCCCCCCCCCCCCCCC(=O)OCCO is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and one of the hydroxy groups of ethylene glycol. It is an ingredient in many personal care products and cosmetics. It has the role of nonionic surfactant . It has the role of emulsifier . It has the role of plasticiser . Its functional parent is ethylene glycol . It is also related to or classified as octadecanoate ester  . It is also related to or classified as long-chain primary fatty alcohol  .
The molecule O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylgalactose consisting of a beta-D-glucopyranose residue and a D-galactopyranose residue joined in sequence by a (1->3) glycosidic bond. Its functional parent is beta-D-glucose . Its functional parent is D-galactopyranose . It is also related to or classified as glycosylgalactose .
The molecule C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O is A dipeptide formed from L-phenylalanine and L-alanine residues. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .
The molecule CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a phosphatidylcholine 33:1 in which the 1- and 2-acyl groups are specified as pentadecanoyl and oleoyl respectively. It derives from a pentadecanoic acid and an oleic acid.
The molecule C(CC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)[C@H](C(=O)O)N is an oligopeptide comprising nine D-glutamic acid residues linked by peptidic bonds between the amino and gamma-carboxy groups. It derives from a D-glutamic acid.
The molecule C1=CC(=C(C=C1[C@@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O is a taxifolin that has (2R,3S)-configuration. It has a role as a metabolite. It is an enantiomer of a (+)-epitaxifolin.
The molecule CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C([O-])=O CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C([O-])=O is conjugate base of 2-oxophytanic acid. Its functional parent is hexadecanoic acid . Its functional parent is hexadecanoate . It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as long-chain fatty acid anion  .
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-])O is a HEPE(1-) that is the conjugate base of 15(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. It is a HEPE(1-) and a long-chain fatty acid anion. It is a conjugate base of a 15(S)-HEPE. It is an enantiomer of a 15(R)-HEPE(1-).
The molecule NC[C@@H](CC[C@H](N)C(O)=O)OP(O)(O)=O NC[C@@H](CC[C@H](N)C(O)=O)OP(O)(O)=O is the 5-phosphonooxy derivative of L-lysine having erythro-stereochemistry. It is a conjugate acid of erythro-5-phosphonatoooxy-L-lysinium(1-) . It is also related to or classified as O-phosphoamino acid , L-lysine derivative , non-proteinogenic L-alpha-amino acid .
The molecule CN1/C(=C\\C=C\\C2=CC=[N+](C3=CC=CC=C23)CCC(=[N+](C)C)CCCC(=[N+](C)C)CC[N+]4=CC=C(C5=CC=CC=C45)/C=C/C=C\\6/OC7=CC=CC=C7N6C)/OC8=CC=CC=C18 is the tetracation of YoYo-1 dye. It has a role as a fluorochrome. It is a benzoxazolium ion, a quinolinium ion, a cyanine dye and an iminium ion.