anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1[C@]23[C@]4([C@@]([C@@]5([C@@](CC4)(CC6=C5NC=7C6=CC=CC7)[H])C)(CC[C@@]3(O[C@@]([C@@H](O)[C@@]12[H])(C(O)(C)C)[H])[H])C)[H] O1[C@]23[C@]4([C@@]([C@@]5([C@@](CC4)(CC6=C5NC=7C6=CC=CC7)[H])C)(CC[C@@]3(O[C@@]([C@@H](O)[C@@]12[H])(C(O)(C)C)[H])[H])C)[H] is 13-Desoxyterpendole I. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCC[C@H](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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontapentaenoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (3R,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontapentaenoyl-CoA(4-).
The molecule CN1CCN(CC1)C(CNC(/C(=N/C2=CC=C(C=C2)OC)/O)=O)C3=CC=CC=C3 CN1CCN(CC1)C(CNC(/C(=N/C2=CC=C(C=C2)OC)/O)=O)C3=CC=CC=C3 is GTS467. It has the role of glutamate transporter activator . It is also related to or classified as organic molecular entity .
The molecule C1=CO[C@H]2[C@@H]1C3=C(O2)C=C4C(=C3[O-])C(=O)C5=C(C4=O)C=C(C=C5O)O is a phenolate anion obtained by deprotonation of the 8-hydroxy group of versicolorin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a versicolorin A.
The molecule CCCCCCCCCC(=O)OCC[N+](C)(C)C is an acylcholine obtained by formal condensation of the carboxy group of decanoic acid with the hydroxy group of choline. It has a role as a metabolite. It derives from a decanoic acid.
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2 is A 3-oxo-5alpha- steroid that is 5alpha-cholestane substituted by an oxo group at position 3. It has the role of mammalian metabolite . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as 3-oxocholestane  .
The molecule C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCCCCCC(=O)OC)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC=O is a glycoside that consists of an alpha-D-mannose residue linked (1->3) to an N-formyl-alpha-D-perosamine residue which in turn is linked glycosidically to a 5-(methoxycarbonyl)pentyl group. It is a methyl ester, a glycoside and a disaccharide derivative.
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C is a 3-hydroxy steroid that is 19-norcholesta-1,3,5(10)-triene substituted by a hydroxy group at position 3. It is isolated from Hainan soft coral Dendronephthya studeri. It has a role as a coral metabolite.
The molecule O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4C[C@@H]3OC(=O)[C@@H](N(C)C)C(C)C)C)(CC[C@@]27O[C@@H]1C(O7)(C)C)C O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4C[C@@H]3OC(=O)[C@@H](N(C)C)C(C)C)C)(CC[C@@]27O[C@@H]1C(O7)(C)C)C is 14-(N,N-dimethyl-L-valyloxy)paspalinine. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCC)O)C(=O)[O-] is a C81 alpha-mycolate having a C55 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra. It has a role as a bacterial metabolite. It is an an alpha-mycolate and a hydroxy fatty acid anion. It is a conjugate base of a (2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid.
The molecule CCCN(CCC)[C@@]1(CCC=2C=CC3=C(C=C(C#N)N3)C2C1)[H] CCCN(CCC)[C@@]1(CCC=2C=CC3=C(C=C(C#N)N3)C2C1)[H] is U-92016A. It has the role of serotonergic agonist . It is also related to or classified as organic molecular entity .
The molecule C[C@@H](C=O)O is a lactaldehyde. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite.
The molecule [C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@](C(C1)=C)(C)O)=O)CC2)[H])=O [C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@](C(C1)=C)(C)O)=O)CC2)[H])=O is A pyrrolizine alkaloid that is jacoline in which the 5-methyl group has been replaced by methylene. It has the role of Jacobaea metabolite . Its functional parent is senecionine . It is also related to or classified as organic heterotricyclic compound , triol , pyrrolizine alkaloid , tertiary amino compound , macrocyclic lactone .
The molecule C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCN=C(N)N)N is an L-arginine derivative that is the amide obtained by formal condensation of the carboxy group of L-arginine with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is a N-(2-naphthyl)carboxamide, an amino acid amide and a L-arginine derivative.
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O is a maltose phosphate having the phosphate group placed at the 6'-position. It has a role as an Escherichia coli metabolite. It derives from a maltose. It is a conjugate acid of an alpha-maltose 6'-phosphate(2-).
The molecule CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)[O-] is the anion resulting from the removal of a proton from the carboxylic acid group of cephalexin. It is a conjugate base of a cephalexin.
The molecule P(OOOCC1OC(N2C=3N=C(NC(=O)C3N=C2)N)CC1O)(OP(O)(O)=O)(O)=O P(OOOCC1OC(N2C=3N=C(NC(=O)C3N=C2)N)CC1O)(OP(O)(O)=O)(O)=O is [5-(2-Amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methylperoxy phosphono hydrogen phosphate. It is also related to or classified as purine 2'-deoxyribonucleoside  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCC(C)CC)O is a sphingomyelin 42:1 obtained by formal condensation of the carboxy group of pentacosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It derives from a 14-methylhexadecasphingosine and a pentacosanoic acid.
The molecule [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 is 5alpha-cholesta-7,24-dien-3beta-ol. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 3beta-sterol  .
The molecule C1=CC=C(C(=C1CC)NC(CCl)=O)C C1=CC=C(C(=C1CC)NC(CCl)=O)C is an aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2-ethyl-6-methylaniline. Its functional parent is chloroacetic acid . It is also related to or classified as organochlorine compound  . It is also related to or classified as aromatic amide .
The molecule [H+].CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C is an organic cation obtained by protonation of alectinib. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an alectinib.
The molecule CNCCCC[C@@H](C(=O)O)N is an L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by a methyl group. It is a L-lysine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate base of a N(6)-methyl-L-lysinium(1+).
The molecule C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)N is a glycoside that consists of a beta-1,3-linked nonaglucan backbone with a beta-1,3-glucotetraose branch at the 6-O-position of the nonaglucan central sugar unit and with a 2-aminoethoxy moiety at the reducing-end anomeric centre. It is a glycoside and an oligosaccharide derivative. It derives from a beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-[beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->6)]-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc.
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC/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 2,3-trans-enoyl CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA.
The molecule C1[C@H]([C@H]([C@H](OC1O)CO)O)O is a deoxygalactose that is D-galactopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. It has a role as a metabolite.
The molecule O1C(CC(O)C2=C1C=C(OC)C=C2OC)C3=CC=C(OC)C=C3 O1C(CC(O)C2=C1C=C(OC)C=C2OC)C3=CC=C(OC)C=C3 is 4-Hydroxy-5,7,4'-trimethoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C[C@@H]([C@@H]6O)O)C)O5)C)CO is a withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 3, 4 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has a role as a plant metabolite. It is a delta-lactone, a 27-hydroxy steroid, a 4-hydroxy steroid, a 3beta-hydroxy steroid, an ergostanoid, a primary alcohol, a secondary alcohol, a withanolide and an epoxy steroid.
The molecule O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(=O)NCC(OCC)=O)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(=O)NCC(OCC)=O)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] is Glycolithocholic acid ethyl ester. It is also related to or classified as bile acid glycine conjugate .
The molecule C=C(C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-] is conjugate base of 4-methylene-L-glutamic acid. It is a conjugate base of a 4-methylene-L-glutamic acid. It is a conjugate acid of a 4-methylene-L-glutamate(2-).
The molecule O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=C[C@H]3OC)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)([C@@H](CCC=C(C)C)C)[H])[C@@H]6O[C@@H]([C@@H](OC(=O)C)[C@@H](O)[C@H]6O)COC(=O)C O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=C[C@H]3OC)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)([C@@H](CCC=C(C)C)C)[H])[C@@H]6O[C@@H]([C@@H](OC(=O)C)[C@@H](O)[C@H]6O)COC(=O)C is Hebevinoside XI.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule OC(=O)CCl OC(=O)CCl is A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. It has the role of alkylating agent . It has the role of herbicide . Its functional parent is acetic acid . It is a conjugate acid of chloroacetate . It is also related to or classified as haloacetic acid  . It is also related to or classified as chlorocarboxylic acid .
The molecule C(\OC[C@](CO)(OC(CCCCCCC/C=C\CCCCCCCC)=O)[H])=C\CCCCCCCCCCCC C(\OC[C@](CO)(OC(CCCCCCC/C=C\CCCCCCCC)=O)[H])=C\CCCCCCCCCCCC is 1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol. It is also related to or classified as 1Z-alkenylacylglycerol  . It is also related to or classified as glycerol ether .
The molecule CC1=CC(=O)CC([C@]1(/C=C/C(=C\\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C)O)(C)C is a (+)-abscisic acid D-glucopyranosyl ester that is derived from beta-D-glucopyranose. It derives from a (+)-abscisic acid and a beta-D-glucose.
The molecule C1=COC(=C1)C(=O)O is a furoic acid having the carboxylic acid group located at position 2. It has a role as an inhibitor, a human xenobiotic metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 2-furoate.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)OP([O-])([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)OP([O-])([O-])=O is an organophosphate oxoanion that is the trianion of ditrans,polycis-undecaprenyl diphosphate. It is also related to or classified as ditrans,polycis-polyprenyl diphosphate(3-) , polyprenol diphosphate(3-) , organophosphate oxoanion .
The molecule O1OC(CC1C(OO)CCCCCCCC(OC)=O)C2OOC(C=C2)CC O1OC(CC1C(OO)CCCCCCCC(OC)=O)C2OOC(C=C2)CC is methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C1=CC=C(C(=C1CC)NC(CCl)=O)CC C1=CC=C(C(=C1CC)NC(CCl)=O)CC is an aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2,6-diethylaniline. It has the role of genotoxin . It has the role of carcinogenic agent . It has the role of human xenobiotic metabolite . It has the role of fungal xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . It has the role of rat metabolite . Its functional parent is chloroacetic acid . It is also related to or classified as organochlorine compound  . It is also related to or classified as aromatic amide .
The molecule C1=CC(=C(C=C1CC(=O)C(=O)[O-])O)O is a 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 3,4-dihydroxyphenylpyruvic acid. It derives from a pyruvate. It is a conjugate base of a 3,4-dihydroxyphenylpyruvic acid.
The molecule C1=CC=C(C=C1)/C(/C=2C=C(C=CC2N)Cl)=N/N=C(/C3=CC=CC=C3O)\O C1=CC=C(C=C1)/C(/C=2C=C(C=CC2N)Cl)=N/N=C(/C3=CC=CC=C3O)\O is KBH. It has the role of probe . It is also related to or classified as organic molecular entity .
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@@H]4CSC(=N4)C5=NC6=C(S5)C=C(C=C6)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-firefly luciferin. It derives from an ent-Photinus luciferin. It is a conjugate acid of a L-firefly luciferyl-CoA(3-).
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O is an anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-myristoyl-sn-glycerol 3-phosphate. It is an anionic phospholipid and a 1-acyl-sn-glycerol 3-phosphate(2-). It is a conjugate base of a 1-myristoyl-sn-glycerol 3-phosphate.
The molecule OC(=O)C[C@H](N)CC1=CC=C(O)C=C1 OC(=O)C[C@H](N)CC1=CC=C(O)C=C1 is (R)-3-Amino-4-(4-hydroxyphenyl)butanoic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)(C)[C@H](/C(=C\\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O is a (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the active R-enantiomer of diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol, a conazole antifungal agent and a conazole fungicide. It is an enantiomer of a (S)-diniconazole.
The molecule [C@@]1([C@@H](C)O)(O)C(O[C@H]2C(C(=CCN(CC2)C)COC([C@@]([C@@H](C1)C)(OC(=O)C)C)=O)=O)=O [C@@]1([C@@H](C)O)(O)C(O[C@H]2C(C(=CCN(CC2)C)COC([C@@]([C@@H](C1)C)(OC(=O)C)C)=O)=O)=O is A pyrrolizine alkaloid that is onetine in which the hydroxy hydrogen has been replaced by an acetyl group. It has the role of Jacobaea metabolite . Its functional parent is onetine . It is also related to or classified as diol  .  It is also related to or classified as acetate ester  .  It is also related to or classified as enone  . It is also related to or classified as pyrrolizine alkaloid , tertiary amino compound , macrocyclic lactone , organic heterobicyclic compound .
The molecule CN[C@@]1(CCCCC1=O)C2=CC=CC=C2Cl is the S- (more active) enantiomer of ketamine. It has a role as an analgesic, a NMDA receptor antagonist and an intravenous anaesthetic. It is an enantiomer of a (R)-ketamine.
The molecule O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O is A pyrimidine ribonucleoside 5'-monophosphate having 5-fluorouracil as the pyrimidine component. It has the role of drug metabolite . Its functional parent is uridine 5'-monophosphate . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrimidine ribonucleoside 5'-monophosphate .
The molecule CCCCCCCCCCCCCCCCOC[C@@H](O)CO CCCCCCCCCCCCCCCCOC[C@@H](O)CO is A 1-n-hexadecyl analogue of an optically active alkylglycerol compound. Its functional parent is glycerol . It is also related to or classified as 1-O-alkyl-sn-glycerol  . It is also related to or classified as 1-O-palmitylglycerol  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(=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 is a 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA. It is a 3-oxo-fatty acyl-CoA(4-) and an ultra-long-chain 3-oxoacyl-CoA(4-). It is a conjugate base of a (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA.
The molecule [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C is 5alpha-ergosta-7,22-diene-3beta,5-diol. It is also related to or classified as 3beta-sterol  . It is also related to or classified as 5alpha-hydroxy steroid .
The molecule C1[C@H](CN[C@H]1C(=O)O)O is a 4-hydroxy-D-proline in which the hydroxy group at position 4 has R-configuration. It has a role as a metabolite and a mouse metabolite. It is a tautomer of a cis-4-hydroxy-D-proline zwitterion.
The molecule OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl is an alanine derivative that is alanine substituted by a 2,6-dichlorobenzoyl group at the N and a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3. It is also related to or classified as dichlorobenzene  . It is also related to or classified as quinolines , N-acyl-amino acid .
The molecule [C@@]12([C@H](C)O1)C(O[C@H]3C(C(=CCN(CC3)C)COC([C@@]([C@@H](C2)C)(OC(=O)C)C)=O)=O)=O [C@@]12([C@H](C)O1)C(O[C@H]3C(C(=CCN(CC3)C)COC([C@@]([C@@H](C2)C)(OC(=O)C)C)=O)=O)=O is A pyrrolizine alkaloid that is otosenine in which the hydroxy hydrogen has been replaced by an acetyl group. It has the role of Jacobaea metabolite . Its functional parent is otosenine .   It is also related to or classified as acetate ester  .  It is also related to or classified as enone  . It is also related to or classified as spiro-epoxide , pyrrolizine alkaloid , tertiary amino compound , macrocyclic lactone , organic heterobicyclic compound .
The molecule OC(=O)C[C@@H](N)CC1=CC=CC=C1 OC(=O)C[C@@H](N)CC1=CC=CC=C1 is (3S)-3-Amino-4-phenylbutanoic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCC(=O)N5 is a peptide cation obtained from the deprotonation of the carboxy groups of L-alpha-glutamyl and L-leucine residues, and protonation of the side chains of L-lysyl and L-arginyl residues of neurotensin. It is the major species at pH 7.3. It has a role as a human metabolite. It is a conjugate acid of a neurotensin.
The molecule O(C(C(OC(C(O[H])([H])[H])([H])[H])([H])[H])(C([H])([H])[H])[H])C(C(O[H])([H])[H])([H])[H] O(C(C(OC(C(O[H])([H])[H])([H])[H])([H])[H])(C([H])([H])[H])[H])C(C(O[H])([H])[H])([H])[H] is pluronic F-127 is a non-ionic surfactant and a member of the poloxamer family. It is widely used in biological, biochemical, and pharmaceutical applications for its amphiphilic properties, which allow it to stabilize hydrophobic molecules in aqueous environments, act as a solubilizer, or serve as a component in hydrogels. It is also related to or classified as organic molecular entity .
The molecule CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C(C(=O)C(=C(C3=O)OC)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)OC is a member of the class of asterriquinones that is asterriquinone in which the hydrogens of both of the hydroxy groups have replaced by methyl groups.
The molecule C1C(=NC2=C(N1)N=C(NC2=O)N)COP(=O)([O-])OP(=O)([O-])[O-] is trianion of (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate arising from deprotonation of the three diphosphate OH groups. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl trihydrogen diphosphate. It is a tautomer of a (7,8-dihydropterin-6-yl)methyl diphosphate(3-).
The molecule [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 is A C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone. It has the role of progestogen . It has the role of human metabolite . Its functional parent is progesterone . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as 20-oxo steroid , C21-steroid hormone .
The molecule [Cu++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O [Cu++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O is the pentahydrate of copper(2+) sulfate. A bright blue crystalline solid. It is also related to or classified as hydrate , metal sulfate .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC is A 3-sn-phosphatidyl-L-serine compound with a palmitoyl group at the 1-position and an oleoyl group at the 2-position. Its functional parent is glycerol . It is a conjugate acid of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as 3-sn-phosphatidyl-L-serine  .
The molecule CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] is a peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3. It is a conjugate base of an Ac-Asp-Glu.
The molecule C1CC(CCC1CN)C(=O)O is a monocarboxylic acid. It has a role as an antifibrinolytic drug and a hematologic agent. It derives from a cyclohexanecarboxylic acid.
The molecule N=1[C@@H](CC=2C=3C(NC2)=CC=CC3)C=[NH+][C@H](C1)C(C)C N=1[C@@H](CC=2C=3C(NC2)=CC=CC3)C=[NH+][C@H](C1)C(C)C is didehydrocampesine A(1+). It is also related to or classified as secondary ammonium ion  . It is also related to or classified as piperazines .
The molecule CCCCCCCCCCCCCCCC(=O)[C@H](CO)N is a 2-amino-1-hydroxyoctadecan-3-one that has S-configuration. It has a role as a mouse metabolite. It derives from a sphinganine. It is a conjugate base of a 3-dehydrosphinganinium(1+).