CHEBI:165435 - 5-Oxo-heneicosanoic acid

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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 5-Oxo-heneicosanoic acid
ChEBI ID CHEBI:165435
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H40O3
Net Charge 0
Average Mass 340.548
Monoisotopic Mass 340.29775
InChI InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24/h2-19H2,1H3,(H,23,24)
InChIKey RHPGVYZZXIMNOE-UHFFFAOYSA-N
SMILES O=C(CCCCCCCCCCCCCCCC)CCCC(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 5-Oxo-heneicosanoic acid (CHEBI:165435) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
5-oxohenicosanoic acid
Manual Xrefs Databases
4472351 ChemSpider
LMFA01060138 LIPID MAPS
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