CHEBI:213596 - Dioctylketone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dioctylketone
ChEBI ID CHEBI:213596
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H34O
Net Charge 0
Average Mass 254.458
Monoisotopic Mass 254.26097
InChI InChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey WTJKUFMLQFLJOT-UHFFFAOYSA-N
SMILES O=C(CCCCCCCC)CCCCCCCC
Metabolite of Species Details
Aspergillus ustus (NCBI:txid40382) See: PubMed
ChEBI Ontology
Outgoing Dioctylketone (CHEBI:213596) is a ketone (CHEBI:17087)
IUPAC Name
heptadecan-9-one
Manual Xrefs Databases
10425 ChemSpider
LMFA12000196 LIPID MAPS
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