anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)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[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)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-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3,22-dioxochol-4-ene-24-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12 CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12 is purine substituted on C-2, C-6 and N-9 with (3-hydroxypropyl)amino, benzylamino and isopropyl groups respectively; a synthetic, cell-permeable, cyclin-dependent kinase (CDK) inhibitor that is structurally similar to olomoucine and roscovitine. It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as purines .
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]3CC=C4C[C@@H](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]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3beta-hydroxychol-5-en-24-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(\C=C\C(=O)NO)cc1 Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(\C=C\C(=O)NO)cc1 is an organic cation obtained by protonation of the secondary amino function of panobinostat. It is a conjugate acid of panobinostat . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC(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)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C CC(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)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H]1CO Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H]1CO is A nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups. It has the role of antibacterial agent . It has the role of anti-HIV agent . It has the role of bacterial metabolite . Its functional parent is adenine . It is also related to or classified as primary alcohol  . It is also related to or classified as diol  . It is also related to or classified as oxetanes , nucleoside analogue .
The molecule CC(=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]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CC(=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]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3beta-hydroxychola-5,20(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 C=1(C(=CC2=C(C1)N=CC=C2OC3=CC(=C(C=C3)NC(NC4CC4)=O)Cl)C(N)=O)OC C=1(C(=CC2=C(C1)N=CC=C2OC3=CC(=C(C=C3)NC(NC4CC4)=O)Cl)C(N)=O)OC is A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of fibroblast growth factor receptor antagonist . It has the role of vascular endothelial growth factor receptor antagonist . It has the role of orphan drug .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as phenylureas , quinolines , aromatic ether , cyclopropanes , aromatic amide , monochlorobenzenes .
The molecule C[C@H](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)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](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)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule C(/C=C/[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@H](CC4=CC[C@]3([C@@]2(CC1)[H])[H])O)C)[H])C)[H])(C)[H])(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]5O[C@@H](N6C=7C(=C(N=CN7)N)N=C6)[C@@H]([C@@H]5OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O C(/C=C/[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@H](CC4=CC[C@]3([C@@]2(CC1)[H])[H])O)C)[H])C)[H])(C)[H])(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]5O[C@@H](N6C=7C(=C(N=CN7)N)N=C6)[C@@H]([C@@H]5OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3beta-hydroxychola-5,22-dien-24-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule CCCCCCCCCCCCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-hexadecenoylcarnitine having (2E)-hexadecenoyl as the acyl substituent. Its functional parent is (E)-hexadec-2-enoic acid . It is also related to or classified as O-hexadecenoylcarnitine  .
The molecule NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS([O-])(=O)=O NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS([O-])(=O)=O is an organosulfate oxoanion that is the conjugate base of avibactam, obtained by deprotonation of the sulfo group. It is also related to or classified as organosulfate oxoanion  .
The molecule CCCCCCCCCCCCCC(=O)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 CCCCCCCCCCCCCC(=O)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 is A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 2-methyl-3-oxopalmitoyl-CoA.  It is also related to or classified as 3-oxo-fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .
The molecule CCCCC\C=C/C[C@@H]1O[C@@H]1CCCCCCCC(O)=O CCCCC\C=C/C[C@@H]1O[C@@H]1CCCCCCCC(O)=O is A 9(10)-EpOME in which the epoxide has 9R,10S stereochemistry. It is also related to or classified as 9(10)-EpOME  .
The molecule [H+].[Cl-].CN[C@@H](C)[C@@H](O)c1ccccc1 [H+].[Cl-].CN[C@@H](C)[C@@H](O)c1ccccc1 is A hydrochloride that is the monohydrochloride salt of pseudoephedrine. It has the role of plant metabolite . It is also related to or classified as hydrochloride .
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)n2cnc3c2nc(N)[nH]c3=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of GDP-N,N'-diacetylbacillosamine; 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 OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O is the acyclic form of L-talose. It is also related to or classified as L-talose  .
The molecule O(C(CCCCCCC/C=C/CCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C O(C(CCCCCCC/C=C/CCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C is an O-octadecenoylcarnitine in which the acyl group is specified as (9E)-octadec-9-enoyl. Its functional parent is elaidic acid . It is also related to or classified as O-octadecenoylcarnitine  .
The molecule CCCCCC(=O)OCC CCCCCC(=O)OCC is A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has the role of metabolite . It is also related to or classified as fatty acid ethyl ester  . It is also related to or classified as hexanoate ester  .
The molecule CC(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](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCCO CC(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](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCCO is A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 18-hydroxyoleoyl-CoA; major species at pH 7.3. It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  . It is also related to or classified as omega-hydroxy fatty acyl-CoA(4-)  .
The molecule CC(C)c1ccc2c(CC[C@H]3C(C)(C)CCC[C@]23C)c1 CC(C)c1ccc2c(CC[C@H]3C(C)(C)CCC[C@]23C)c1 is A diterpene that is abietane having three double bonds located at positions 8, 11 and 13. It has the role of plant metabolite . It is also related to or classified as diterpene  .
The molecule CC(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](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCCO CC(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](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCCO is an omega-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 18-hydroxyoleic acid. Its functional parent is oleic acid . It is a conjugate acid of 18-hydroxyoleoyl-CoA(4-) .  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA , omega-hydroxy fatty acyl-CoA , unsaturated fatty acyl-CoA .
The molecule C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)C=C C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)C=C is an O-acyl-L-carnitine in which the acyl group specified is propenoyl. It is also related to or classified as O-acyl-L-carnitine  . It is also related to or classified as O-propenoylcarnitine  .
The molecule NC(=[NH2+])NCCCCNC(=O)\C=C\c1ccc(O)cc1 NC(=[NH2+])NCCCCNC(=O)\C=C\c1ccc(O)cc1 is A p-coumaroylagmatine(1+) in which the double bond of the coumaroyl component has E-geochemistry. It is a conjugate acid of (E)-p-coumaroylagmatine . It is also related to or classified as p-coumaroylagmatine(1+)  .
The molecule NC(=N)NCCCCNC(=O)\C=C\c1ccc(O)cc1 NC(=N)NCCCCNC(=O)\C=C\c1ccc(O)cc1 is A p-coumaroylagmatine(1+) in which the double bond of the coumaroyl component has E-geochemistry. Its functional parent is trans-4-coumaric acid . It is also related to or classified as p-coumaroylagmatine  .
The molecule CN1[C@H]2CCC[C@@H]1CC(=O)C2 CN1[C@H]2CCC[C@@H]1CC(=O)C2 is an azabicycloalkane alkaloid that is 9-azabicyclo[3.3.1]nonane substituted by a methyl group at position 9 and an oxo group at position 3. It is found in pomegranate trees. It has the role of plant metabolite . It is also related to or classified as alkaloid  . It is also related to or classified as azabicycloalkane , cyclic ketone , tertiary amino compound .
The molecule CC(CO)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CC(CO)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is an oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 26. It has the role of human metabolite . Its functional parent is cholesterol . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as 26-hydroxy steroid , 24-hydroxy steroid , oxysterol .
The molecule CC(C)(C)C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C CC(C)(C)C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C is A C5-acylcarnitine in which the acyl group specified is pivaloyl. It has the role of metabolite . Its functional parent is pivalic acid . It is also related to or classified as C5-acylcarnitine  .
The molecule CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is an oxysterol that is cholesterol which is substituted by hydroxy groups at positions 4beta and 24S. It has the role of human xenobiotic metabolite . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as 24-hydroxy steroid , cholestanoid , oxysterol , 4-hydroxy steroid .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC is A phosphatidylcholine 32:0 in which the acyl group specified at positions 1 and 2 are stearoyl and myristoyl respectively. Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 32:0  . It is also related to or classified as tetradecanoate ester  .
The molecule NC(=N)NCCCCNC(=O)\C=C/c1ccc(O)cc1 NC(=N)NCCCCNC(=O)\C=C/c1ccc(O)cc1 is A p-coumaroylagmatine in which the double bond of the coumaroyl component has Z-geochemistry. Its functional parent is cis-4-coumaric acid . It is also related to or classified as p-coumaroylagmatine  .
The molecule COc1cc(\C=C/C(=O)NCCCCNC(N)=N)ccc1O COc1cc(\C=C/C(=O)NCCCCNC(N)=N)ccc1O is A 4-hydroxy-3-methoxycinnamoylagmatine in which the double bond of the 4-hydroxy-3-methoxycinnamoyl component has Z-geochemistry. Its functional parent is cis-ferulic acid . It is also related to or classified as 4-hydroxy-3-methoxycinnamoylagmatine  .
The molecule NC(=[NH2+])NCCCCNC(=O)\C=C/c1ccc(O)cc1 NC(=[NH2+])NCCCCNC(=O)\C=C/c1ccc(O)cc1 is A p-coumaroylagmatine(1+) in which the double bond of the coumaroyl component has Z-geochemistry. It is a conjugate acid of (Z)-p-coumaroylagmatine . It is also related to or classified as p-coumaroylagmatine(1+)  .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C is A phosphatidylcholine 32:0 in which the acyl group specified at positions 1 and 2 are myristoyl and stearoyl respectively. Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 32:0  . It is also related to or classified as tetradecanoate ester  .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC is A phosphatidylcholine 32:3 in which the acyl groups at positions 1 and 2 are tetradecanoyl and (9Z,12Z,15Z)-octadecatrienoyl respectively. Its functional parent is alpha-linolenic acid . It is also related to or classified as phosphatidylcholine 32:3  . It is also related to or classified as tetradecanoate ester  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC is A N-octadecenoylsphingosine-1-phosphocholine in which the acyl group specified is (11Z)-octadecenoyl. It has the role of metabolite . It is also related to or classified as sphingomyelin d18:1/18:1  .
The molecule OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O is the furanose form of D-arabinose 5-phosphate. Its functional parent is D-arabinofuranose . It is a conjugate acid of D-arabinofuranose 5-phosphate(2-) . It is also related to or classified as D-arabinose 5-phosphate .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A phosphatidylcholine 32:2 in which the acyl groups specified at positions 1 and 2 are tetradecanoyl and (9Z,12Z)-octadecadienoyl respectively. Its functional parent is linoleic acid . It is also related to or classified as phosphatidylcholine 32:2  . It is also related to or classified as tetradecanoate ester  .
The molecule C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is an oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 25. It has the role of human metabolite . Its functional parent is cholesterol . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as 25-hydroxy steroid , 24-hydroxy steroid , oxysterol .
The molecule C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O is A 3beta-hydroxycholest-5-en-26-al in which the stereocentre at position 25 has R-configuration. Its functional parent is (25R)-cholest-5-ene-3beta,26-diol . It is also related to or classified as 3beta-hydroxycholest-5-en-26-al  .
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)n2cnc3c2nc(N)[nH]c3=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O is A GDP-hexose having 2,4-diacetamido-2,4,6-trideoxy-alpha-D-glucopyranose as the hexose component. It has the role of bacterial metabolite . Its functional parent is bacillosamine . It is a conjugate acid of GDP-N,N'-diacetylbacillosamine(2-) . It is also related to or classified as GDP-hexose  .
The molecule CC(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)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C CC(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)=C1CC[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 20-methyl-3-oxopregna-4,17-dien-21-oic acid. It is a conjugate acid of 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C is A phosphatidylcholine 32:1 in which the acyl groups specified at positions 1 and 2 are oleoyl and myristoyl respectively. Its functional parent is oleic acid . It is also related to or classified as phosphatidylcholine 32:1  . It is also related to or classified as tetradecanoate ester  .
The molecule CCCCCC(O)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 CCCCCC(O)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 A 3-hydroxy-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyoctanoic acid. Its functional parent is 3-hydroxyoctanoic acid . It is a conjugate acid of 3-hydroxyoctanoyl-CoA(4-) . It is also related to or classified as 3-hydroxy fatty acyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA .
The molecule C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)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[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)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 A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,22-dioxochol-4-en-24-oic acid. It is a conjugate acid of 3,22-dioxochol-4-en-24-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule C(/C=C/[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@H](CC4=CC[C@]3([C@@]2(CC1)[H])[H])O)C)[H])C)[H])(C)[H])(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]5O[C@@H](N6C=7C(=C(N=CN7)N)N=C6)[C@@H]([C@@H]5OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O C(/C=C/[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@H](CC4=CC[C@]3([C@@]2(CC1)[H])[H])O)C)[H])C)[H])(C)[H])(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]5O[C@@H](N6C=7C(=C(N=CN7)N)N=C6)[C@@H]([C@@H]5OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3beta-hydroxychola-5,22-dien-24-oic acid. It is a conjugate acid of 3beta-hydroxychola-5,22-dien-24-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule C[C@H](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)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](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)C1(O)CC[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 17-hydroxy-3-oxopregn-4-en-20-carboxylic acid. It is a conjugate acid of 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C is A  phosphatidylcholine 34:2 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z)-octadecadienoyl and linoleoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is linoleic acid . It is also related to or classified as phosphatidylcholine 34:2  .
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]3CC=C4C[C@@H](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]3CC=C4C[C@@H](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 3beta-hydroxychol-5-en-24-oic acid. It is a conjugate acid of 3beta-hydroxychol-5-en-24-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule CCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC is A  phosphatidylcholine 30:0 in which the acyl group specified at positions 1 and 2 is pentadecanoyl. Its functional parent is pentadecanoic acid . It is also related to or classified as phosphatidylcholine 30:0  .