anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCC(C)C(=O)NCC(O)=O CCC(C)C(=O)NCC(O)=O is A N-acylglycine that is glycine substituted by a 2-methylbutanoyl group at the N atom. It has the role of human metabolite . Its functional parent is 2-methylbutyric acid . It is also related to or classified as N-acylglycine  .
The molecule C[C@@](O)(CO)[C@@H](O)CO C[C@@](O)(CO)[C@@H](O)CO is A tetritol that is  erythritol substituted by a methyl group at position 2. It has the role of human metabolite . Its functional parent is erythritol . It is also related to or classified as tetritol  .
The molecule O.[Mn++].[O-]S([O-])(=O)=O O.[Mn++].[O-]S([O-])(=O)=O is A hydrate that is the monohydrate form of manganese(II) sulfate. It has the role of nutraceutical . It is also related to or classified as manganese molecular entity , hydrate , metal sulfate .
The molecule OC(CC(O)=O)c1cccc(O)c1 OC(CC(O)=O)c1cccc(O)c1 is A dihydroxy monocarboxylic acid that is 3-hydroxypropanoic acid substituted by a 3-hydroxyphenyl group at position 3. It has the role of human urinary metabolite . Its functional parent is 3-hydroxypropionic acid . It is also related to or classified as phenols  . It is also related to or classified as dihydroxy monocarboxylic acid .
The molecule OCCC(O)C(O)=O OCCC(O)C(O)=O is A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 2 and 4 respectively. It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as omega-hydroxy-short-chain fatty acid , hydroxybutyric acid .
The molecule [H+].CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 [H+].CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 is an organic cation obtained by protonation of neutral red free base. It is a conjugate acid of neutral red base . It is also related to or classified as organic cation .
The molecule OC[C@@H](O)[C@@H](O)CC([O-])=O OC[C@@H](O)[C@@H](O)CC([O-])=O is A member of the class of ribonates that is the  conjugate base of 2-deoxy-D-ribonic acid. It has the role of human metabolite . It is also related to or classified as ribonates .
The molecule O.O.O.O.[Mn++].[O-]S([O-])(=O)=O O.O.O.O.[Mn++].[O-]S([O-])(=O)=O is A hydrate that is the tetrahydrate form of manganese(II) sulfate. It has the role of nutraceutical . It is also related to or classified as manganese molecular entity , hydrate , metal sulfate .
The molecule CCC(=O)C(C)C(O)=O CCC(=O)C(C)C(O)=O is A 3-oxo monocarboxylic acid that is valeric acid substituted by a methyl group at position 2 and a keto group at position 3. It has the role of human metabolite . Its functional parent is valeric acid . It is also related to or classified as 3-oxo monocarboxylic acid .
The molecule OCC(O)CC(O)=O OCC(O)CC(O)=O is A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively. It has the role of human metabolite . Its functional parent is butyric acid .  It is also related to or classified as 3-hydroxy fatty acid  . It is also related to or classified as omega-hydroxy-short-chain fatty acid .
The molecule Cl.CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 Cl.CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 is A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. It has the role of dye . It has the role of acid-base indicator . It has the role of two-colour indicator . It is also related to or classified as hydrochloride .
The molecule OC1(O)C(=O)c2ccccc2C1=O OC1(O)C(=O)c2ccccc2C1=O is A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. It has the role of colour indicator . It has the role of human metabolite .  It is also related to or classified as ketone hydrate  . It is also related to or classified as indanones , beta-diketone , aromatic ketone .
The molecule O.O.O.O.Cl[Mn]Cl O.O.O.O.Cl[Mn]Cl is A hydrate that is the tetrahydrate form of manganese(II) chloride. It has the role of MRI contrast agent . It has the role of nutraceutical . It is also related to or classified as manganese coordination entity , hydrate , inorganic chloride .
The molecule OC(=O)Cc1cccnc1 OC(=O)Cc1cccnc1 is A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. It has the role of human xenobiotic metabolite . It is also related to or classified as monocarboxylic acid , pyridines .
The molecule C[C@@H](O)[C@H](O)C(O)=O C[C@@H](O)[C@H](O)C(O)=O is the (2S,3R)-stereoisomer of 2,3-dihydroxybutanoic acid. It has the role of human urinary metabolite . It is also related to or classified as 2,3-dihydroxybutanoic acid  .
The molecule C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O is an androstanoid with a 5beta-configuration formed by reduction across the C4-C5 double bond of epitestosterone. It has the role of human xenobiotic metabolite . It is also related to or classified as 3-oxo-5beta-steroid  . It is also related to or classified as 17alpha-hydroxy steroid , androstanoid .
The molecule C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO is A 3-oxo-5beta-steroid formed from 11-deoxycorticosterone by reduction across the C4-C5 double bond. It has the role of human xenobiotic metabolite . Its functional parent is 11-deoxycorticosterone . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as 3-oxo-5beta-steroid  . It is also related to or classified as 21-hydroxy steroid , 20-oxo steroid .
The molecule COc1cc(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)ccc1O COc1cc(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)ccc1O is A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid. It has the role of plant metabolite . Its functional parent is (-)-quinic acid . Its functional parent is trans-ferulic acid .  It is also related to or classified as enoate ester  . It is also related to or classified as quinic acid .
The molecule CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 is A member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. It has the role of dye . It has the role of acid-base indicator . It has the role of two-colour indicator . It is also related to or classified as aromatic amine , phenazines , primary amino compound , tertiary amino compound .
The molecule Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 is A 2'-deoxycytidine phosphate that is 2'-deoxycytidine-5'-triphosphate in which the hydrogen at position 5 on the cytosine ring is replaced by iodine. Its functional parent is dCTP .  It is also related to or classified as organoiodine compound  . It is also related to or classified as 2'-deoxycytidine phosphate .
The molecule OC(=O)c1ccc(O)o1 OC(=O)c1ccc(O)o1 is A  hydroxy monocarboxylic acid that is furan substituted by a hydroxy group at position 5 and a carboxy group at position 2 respectively. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as furans , hydroxy monocarboxylic acid .
The molecule CCC1C2CC(CN2C1=O)SCCN CCC1C2CC(CN2C1=O)SCCN is A member of the class of azabicycloalkanes that is 1-azabicyclo[3.2.0]heptan-7-one substituted at positions 3 and 6 by (2-aminoethyl)thio and ethyl groups respectively.  It is also related to or classified as beta-lactam  . It is also related to or classified as aliphatic sulfide , azabicycloalkane , primary amino compound .
The molecule C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O is A TDP-sugar having beta-L-rhamnose as the sugar component. It has the role of bacterial metabolite . It is a conjugate acid of TDP-beta-L-rhamnose(2-) . It is also related to or classified as TDP-sugar .
The molecule C[C@@H]1C[C@@H](O)CC(C)(C)C1=O C[C@@H]1C[C@@H](O)CC(C)(C)C1=O is A member of the class of hydroxycyclohexanones that is 4-hydroxycyclohexanone carrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the 4R,6R-diastereomer). It has the role of bacterial metabolite . It is also related to or classified as hydroxycyclohexanone .
The molecule C[C@@H]1CC(=O)[C@@H](O)[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)O1 C[C@@H]1CC(=O)[C@@H](O)[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)O1 is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-actinospectose; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule COC(=O)CCCC(O)=O COC(=O)CCCC(O)=O is A dicarboxylic acid monoester that the monomethyl ester of  glutaric acid. It has the role of human urinary metabolite . Its functional parent is glutaric acid . It is also related to or classified as dicarboxylic acid monoester .
The molecule CC(CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C CC(CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C is A bacterial hopanoid obtained by addition of an adenosyl group across the double bond of hopene. It has the role of bacterial metabolite .  It is also related to or classified as hopanoid  . It is also related to or classified as adenosines .
The molecule C[C@H](CCC(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](CCC(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxochol-4-en-24-oic acid. It is a conjugate acid of 3-oxochol-4-en-24-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-beta-L-rhamnose; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@@H]1CC(=O)CC(C)(C)C1=O C[C@@H]1CC(=O)CC(C)(C)C1=O is A member of the class of cyclohexanones that is cyclohexane-1,4-dionecarrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the R-enantiomer). It has the role of bacterial metabolite . Its functional parent is cyclohexane-1,4-dione . It is also related to or classified as cyclohexanones .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO is A monoacylglycerol 20:5 in which the acyl group specified at position 2 is (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is also related to or classified as 2-acylglycerol 20:5  .
The molecule C[C@@H]1CC(=O)[C@@H](O)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)O1 C[C@@H]1CC(=O)[C@@H](O)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)O1 is A TDP-sugar having actinospectose as the sugar component. It has the role of bacterial metabolite . It is a conjugate acid of TDP-actinospectose(2-) .  It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as TDP-sugar .
The molecule C[C@H](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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxochola-4,22-dien-24-oic acid. It is a conjugate acid of 3-oxochola-4,22-dien-24-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule [H][C@@]12CC[C@]3([C@@](CCC3=O)([C@@]2(CC[C@]4(C=CCC[C@@]41C)[H])[H])[H])C [H][C@@]12CC[C@]3([C@@](CCC3=O)([C@@]2(CC[C@]4(C=CCC[C@@]41C)[H])[H])[H])C is an  androstanoid that is (5alpha)-androst-3-ene substituted by an oxo group at position 5. It has the role of human metabolite . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as androstanoid .
The molecule CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylcholine 28:1 in which the acyl groups specified at positions 1 and 2 are decanoyl and (9Z-octadecenoyl respectively. Its functional parent is oleic acid . It is also related to or classified as phosphatidylcholine 28:1  . It is also related to or classified as decanoate ester  .
The molecule CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O is A polyunsaturated fatty acid that is hexacosanoic acid carrying double bonds at positions 5 and 9 respectively (the 5Z,9Z-isomer).  It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , olefinic fatty acid , straight-chain fatty acid .
The molecule C[C@H](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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxochola-4,22-dien-24-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule CCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC CCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC is A phosphatidylcholine O-30:2 in which the alkyl and acyl group specified at positions 1 and 2 are (9Z)-hexadecenyl and (9Z)-tetradecenoyl respectively. Its functional parent is myristoleic acid . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine O-30:2  .
The molecule CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C is A  phosphatidylcholine 42:2 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (5Z,9Z)-hexacosadienoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is (5Z,9Z)-5,9-hexacosadienoic acid . It is also related to or classified as phosphatidylcholine 42:2  .
The molecule CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C is A phosphatidylcholine 42:4 in which the acyl groups specified at positions 1 and 2 are (6Z,9Z,12Z)-octadecatrienoyl and (15Z)-tetracosenoyl respectively. Its functional parent is gamma-linolenic acid . Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as phosphatidylcholine 42:4  .
The molecule C[C@H](CCC=C(C)C(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](CCC=C(C)C(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxocholesta-4,24-dien-26-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule [Na+].[Na+].[O-]P([O-])(F)=O [Na+].[Na+].[O-]P([O-])(F)=O is sodium fluorophosphate, commonly abbreviated MFP, is an inorganic compound with the chemical formula Na2PO3F. Typical for a salt, MFP is odourless, colourless, and water-soluble. This salt is an ingredient in toothpastes. It has the role of antibacterial agent . It is also related to or classified as inorganic phosphate , inorganic sodium salt .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCC CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCC is A phosphatidylcholine O-36:1 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (9Z)-eicosenoyl respectively. Its functional parent is gadoleic acid . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine O-36:1  .
The molecule CCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC CCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC is A phosphatidylcholine O-32:2 in which the alkyl and acyl groups specified at positions 1 and 2 are (9Z)-hexadecenyl and (9Z)-hexadecenoyl respectively. Its functional parent is palmitoleic acid . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine O-32:2  .
The molecule C[C@H](CCC=C(C)C(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](CCC=C(C)C(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxocholesta-4,24-dien-26-oic acid. It is a conjugate acid of 3-oxocholesta-4,24-dien-26-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule CCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylcholine O-32:1 in which the alkyl and acyl groups specified at positions 1 and 2 are tetradecyl and (9Z)-octadecenoyl respectively. Its functional parent is oleic acid . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine O-32:1  .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC is A phosphatidylcholine O-34:3 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (6Z,9Z,12Z)-octadecatrienoyl respectively. Its functional parent is gamma-linolenic acid . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine O-34:3  .
The molecule CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCC CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCC is A phosphatidylcholine O-38:1 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (9Z)-eicosenoyl respectively. Its functional parent is gadoleic acid . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine O-38:1  .
The molecule C[C@H](CCC(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](CCC(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC is A phosphatidylcholine O-36:3 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (8Z,11Z,14Z)-eicosatrienoyl respectively. Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine O-36:3  .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC is A phosphatidylcholine 40:3 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z,14Z,17Z)-eicosatrienoyl respectively. Its functional parent is icosanoic acid . Its functional parent is all-cis-icosa-11,14,17-trienoic acid . It is also related to or classified as phosphatidylcholine 40:3  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O is an acyclic mixed acid anhydride that results from the formal condensation of the phosphoryl group of AMP with the carboxyl group of 4-hydroxybenzoic acid. Its functional parent is adenosine 5'-monophosphate . Its functional parent is 4-hydroxybenzoic acid . It is a conjugate acid of 4-hydroxybenzoyl-AMP(1-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate , acyclic mixed acid anhydride .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 4-hydroxybenzoyl-AMP; the major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC is A phosphatidylcholine 30:2 in which the acyl groups specified at positions 1 and 2 are (9Z)-hexadecenoyl and (9Z)-tetradecenoyl respectively. Its functional parent is myristoleic acid . Its functional parent is palmitoleic acid . It is also related to or classified as phosphatidylcholine 30:2  .