9-Hydroxytridecyl docosanoate (CHEBI:171736)

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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	9-Hydroxytridecyl docosanoate

ChEBI ID	CHEBI:171736

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C35H70O3

Net Charge

Average Mass

538.942

Monoisotopic Mass

538.53250

InChI

InChI=1S/C35H70O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32-35(37)38-33-29-26-23-22-24-27-31-34(36)30-6-4-2/h34,36H,3-33H2,1-2H3

InChIKey

SOELRCQALJYJGU-UHFFFAOYSA-N

SMILES

OC(CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study

ChEBI Ontology
Outgoing	9-Hydroxytridecyl docosanoate (CHEBI:171736) is a wax ester (CHEBI:10036)

IUPAC Name

9-hydroxytridecyl docosanoate