CHEBI:89267 - 2-Methyl-4-pentenoic acid

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ChEBI Name 2-Methyl-4-pentenoic acid
ChEBI ID CHEBI:89267
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C6H10O2
Net Charge 0
Average Mass 114.143
Monoisotopic Mass 114.06808
InChI InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKey HVRZYSHVZOELOH-UHFFFAOYSA-N
SMILES C=CCC(C)C(=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-Methyl-4-pentenoic acid (CHEBI:89267) is a branched-chain fatty acid (CHEBI:35819)
Synonyms Sources
2-Methylpent-4-en-1-oic acid HMDB
2-methylpent-4-enoic acid HMDB
2-Methylpent-4-enoic acid HMDB
FEMA 3511 HMDB
Methylallylacetic acid HMDB
Manual Xref Database
HMDB0031158 HMDB
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Registry Number Type Source
1575-74-2 CAS Registry Number KEGG COMPOUND