Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:88900 - 1-Octen-3-one
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-Octen-3-one
ChEBI ID
CHEBI:88900
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C8H14O
Net Charge
0
Average Mass
126.196
Monoisotopic Mass
126.10447
InChI
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKey
KLTVSWGXIAYTHO-UHFFFAOYSA-N
SMILES
CCCCCC(C=C)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
ChEBI Ontology
Outgoing
1-Octen-3-one (
CHEBI:88900
)
has functional parent
acrylic acid (
CHEBI:18308
)
1-Octen-3-one (
CHEBI:88900
)
is a
olefinic compound (
CHEBI:78840
)
Synonyms
Sources
1-Octene-3-one
HMDB
Amyl vinyl ketone
HMDB
FEMA 3515
HMDB
Oct-1-en-3-one
HMDB
oct-1-en-3-one
HMDB
Octen-3-one, 1
HMDB
Pentyl vinyl ketone
HMDB
Vinyl amyl ketone
HMDB
Manual Xrefs
Databases
1-Octen-3-one
Wikipedia
HMDB0031309
HMDB
View more database links
Registry Number
Type
Source
4312-99-6
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
21386183
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC