12-Hydroxy-12-octadecanoylcarnitine (CHEBI:169486)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	12-Hydroxy-12-octadecanoylcarnitine

ChEBI ID	CHEBI:169486

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H49NO5

Net Charge

Average Mass

443.669

Monoisotopic Mass

443.36107

InChI

InChI=1S/C25H49NO5/c1-5-6-7-14-17-22(27)18-15-12-10-8-9-11-13-16-19-25(30)31-23(20-24(28)29)21-26(2,3)4/h22-23,27H,5-21H2,1-4H3

InChIKey

QAIWREXEZLJMTC-UHFFFAOYSA-N

SMILES

O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CCCCCCCCCCC(O)CCCCCC

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	12-Hydroxy-12-octadecanoylcarnitine (CHEBI:169486) is a O-acylcarnitine (CHEBI:17387)

IUPAC Name

3-(12-hydroxyoctadecanoyloxy)-4-(trimethylazaniumyl)butanoate