O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372)

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ChEBI Name	O-[(11E)-octadecenoyl]-D-carnitine

ChEBI ID	CHEBI:136372

ChEBI ASCII Name	O-[(11E)-octadecenoyl]-D-carnitine

Definition	An O-acyl-D-carnitine in which the acyl group is specified as (11E)-octadecenoyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C25H47NO4

Net Charge

Average Mass

425.646

Monoisotopic Mass

425.35051

InChI

InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1

InChIKey

HOAMADDCQBUDDY-YSESTWPTSA-N

SMILES

O(C(CCCCCCCCC/C=C/CCCCCC)=O)[C@H](C[N+](C)(C)C)CC([O-])=O

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via O-octadecenoylcarnitine )

ChEBI Ontology
Outgoing	O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) has functional parent trans-vaccenic acid (CHEBI:28727) O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) has role human xenobiotic metabolite (CHEBI:76967) O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) is a O-acyl-D-carnitine (CHEBI:86043) O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) is a O-octadecenoylcarnitine (CHEBI:86475)

IUPAC Name

(3S)-3-{[(11E)-octadec-11-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

Synonyms	Sources
O-(trans-vaccenoyl)-D-carnitine	ChEBI
O-[(E)-vaccenoyl]-D-carnitine	ChEBI

Last Modified

18 January 2018