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

ChEBI IDCHEBI:73102
ChEBI NameO-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine
Stars
ASCII NameO-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine
DefinitionAn O-acylcarnitine having (9Z)-17-carboxyheptadec-9-enoyl as the acyl substituent.
Last Modified14 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC25H45NO6
Net Charge0
Average Mass455.636
Monoisotopic Mass455.32469
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=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-
InChIKeyCYPBWZKNUDFJJE-PLNGDYQASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)butanoateIUPAC
Citations