CHEBI:73102 - O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine
ChEBI ID CHEBI:73102
ChEBI ASCII Name O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine
Definition An O-acylcarnitine having (9Z)-17-carboxyheptadec-9-enoyl as the acyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H45NO6
Net Charge 0
Average Mass 455.62790
Monoisotopic Mass 455.32469
InChI InChI=1S/C25H45NO6/c1-26(2,3)21-22(20-24(29)30)32-25(31)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23(27)28/h4-5,22H,6-21H2,1-3H3,(H-,27,28,29,30)/b5-4-
InChIKey CYPBWZKNUDFJJE-PLNGDYQASA-N
SMILES C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine (CHEBI:73102) has functional parent carnitine (CHEBI:17126)
O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine (CHEBI:73102) has role metabolite (CHEBI:25212)
O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine (CHEBI:73102) is a O-acylcarnitine (CHEBI:17387)
O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine (CHEBI:73102) is a ammonium betaine (CHEBI:35284)
O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine (CHEBI:73102) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3-{[(9Z)-17-carboxyheptadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonym Source
3-{[(9Z)-17-carboxyheptadec-9-enoyl]oxy}-4-(trimethylammonio)butanoate IUPAC
Citation Waiting for Citations Type Source
23315938 PubMed citation Europe PMC
Last Modified
14 May 2013