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CHEBI:69188 - Methyl stearate

Default Structure
ChEBI IDCHEBI:69188
ChEBI NameMethyl stearate
Stars
DefinitionA 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.
Last Modified17 April 2018
DownloadsMolfile
FormulaC19H38O2
Net Charge0
Average Mass298.511
Monoisotopic Mass298.28718
SMILESCCCCCCCCCCCCCCCCCC(=O)OC
InChIInChI=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
InChIKeyHPEUJPJOZXNMSJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) - MetaboLights (MTBLS309) From MetaboLights
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (24029555)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS345) From MetaboLights
Neolitsea daibuensis (IPNI:466954-1) root (BTO:0001188) PubMed (22148193) Cold MeOH extract of dried root, obtained as a mixture of methyl palmitate and methyl stearate
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)
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  Source
Kemester 4516HMDB
Kemester 9018HMDB
Kemester 9718HMDB
Metholene 2218HMDB
Methyl ester of octadecanoic acidHMDB
Methyl N-octadecanoateHMDB
Manual XrefsDatabases
0000112618ChemIDplus
C00030759KNApSAcK
HMDB0034154HMDB
Registry NumbersSources
CAS:112-61-8KEGG COMPOUND
Citations