Methyl stearate (CHEBI:69188)

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ChEBI Name	Methyl stearate

ChEBI ID	CHEBI:69188

Definition	A fatty acid methyl ester obtained by formal condensation of the carboxy group of octadecanoic (stearic) acid with the hydroxy group of methanol. A natural product found in Neolitsea daibuensis.

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

Supplier Information

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Formula

C19H38O2

Net Charge

Average Mass

298.505

Monoisotopic Mass

298.28718

InChI

InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3

InChIKey

HPEUJPJOZXNMSJ-UHFFFAOYSA-N

SMILES

C(=O)(OC)CCCCCCCCCCCCCCCCC

Metabolite of Species	Details
Neolitsea daibuensis (IPNI:466954-1)	Found in root (BTO:0001188). Cold MeOH extract of dried root, obtained as a mixture of methyl palmitate and methyl stearate See: PubMed
Mus musculus (NCBI:txid10090)	From MetaboLights See: MetaboLights Study
Brassica napus (NCBI:txid3708)	From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

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.

ChEBI Ontology
Outgoing	Methyl stearate (CHEBI:69188) has role metabolite (CHEBI:25212) Methyl stearate (CHEBI:69188) is a fatty acid methyl ester (CHEBI:4986) Methyl stearate (CHEBI:69188) is a octadecanoate ester (CHEBI:75925)

IUPAC Name

methyl octadecanoate

Synonyms	Sources
Kemester 4516	HMDB
Kemester 9018	HMDB
Kemester 9718	HMDB
Metholene 2218	HMDB
Methyl (Z)-9-octadecenoate	HMDB
Methyl ester of octadecanoic acid	HMDB
Methyl N-octadecanoate	HMDB
Methyl octadecanoate	HMDB
n-Octadecanoic acid methyl ester	ChEBI
N-Octadecanoic acid, methyl ester	HMDB
Octadecanoic acid, methyl ester	HMDB
Octadecanoic acid,methyl ester	HMDB
Stearic acid methyl ester	HMDB
Stearic acid, methyl ester	HMDB

Registry Number	Type	Source
112-61-8	CAS Registry Number	KEGG COMPOUND

Last Modified

17 April 2018

General Comment
2014-10-17	Suggested Classification: ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);