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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89712 - 3-Octen-2-one
Main
ChEBI Ontology
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ChEBI Name
3-Octen-2-one
ChEBI ID
CHEBI:89712
Stars
This entity has been manually annotated by a third party.
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Formula
C8H14O
Net Charge
0
Average Mass
126.196
Monoisotopic Mass
126.10447
InChI
InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey
ZCFOBLITZWHNNC-VOTSOKGWSA-N
SMILES
CCCC/C=C/C(C)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
ChEBI Ontology
Outgoing
3-Octen-2-one (
CHEBI:89712
)
has functional parent
acrylic acid (
CHEBI:18308
)
3-Octen-2-one (
CHEBI:89712
)
is a
olefinic compound (
CHEBI:78840
)
Synonyms
Sources
(3E)-3-Octen-2-one
HMDB
(3E)-oct-3-en-2-one
HMDB
(E)-3-Octen-2-one
HMDB
FEMA 3416
HMDB
trans-3-Octen-2-one
HMDB
Manual Xref
Database
HMDB0033547
HMDB
View more database links
Registry Number
Type
Source
1669-44-9
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
21970810
PubMed citation
Europe PMC