CHEBI:88538 - Methyl (S)-2-Methylbutanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Methyl (S)-2-Methylbutanoate
ChEBI ID CHEBI:88538
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C6H12O2
Net Charge 0
Average Mass 116.159
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N
SMILES CCC(C)C(=O)OC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing Methyl (S)-2-Methylbutanoate (CHEBI:88538) is a fatty acid ester (CHEBI:35748)
Synonyms Sources
Butanoic acid, 2-methyl-, methyl ester, (plusmn)- HMDB
FEMA 2719 HMDB
methyl 2-methylbutanoate HMDB
Methyl 2-methylbutyrate HMDB
Manual Xref Database
HMDB0029762 HMDB
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Registry Number Type Source
53955-81-0 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
23454028 PubMed citation Europe PMC