CHEBI:165801 - 9,10-Dioxo-octadecanoic acid

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ChEBI Name 9,10-Dioxo-octadecanoic acid
ChEBI ID CHEBI:165801
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C18H32O4
Net Charge 0
Average Mass 312.450
Monoisotopic Mass 312.23006
InChI InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h2-15H2,1H3,(H,21,22)
InChIKey UCJSYDRGZVWHJS-UHFFFAOYSA-N
SMILES O=C(CCCCCCCC)C(=O)CCCCCCCC(O)=O
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 9,10-Dioxo-octadecanoic acid (CHEBI:165801) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
9,10-dioxooctadecanoic acid
Manual Xrefs Databases
4472334 ChemSpider
LMFA01060121 LIPID MAPS
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Registry Number Type Source
656-73-5 CAS Registry Number ChemIDplus