CHEBI:142251 - 9-OxoOTrE

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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 9-OxoOTrE
ChEBI ID CHEBI:142251
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C18H28O3
Net Charge 0
Average Mass 292.414
Monoisotopic Mass 292.20384
InChI InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+
InChIKey ACHDMUPTZYZIGR-CUHSZNQNSA-N
SMILES O=C(CCCCCCCC(O)=O)/C=C/C=C\C/C=C\CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9-OxoOTrE (CHEBI:142251) is a long-chain fatty acid (CHEBI:15904)
9-OxoOTrE (CHEBI:142251) is a oxo fatty acid (CHEBI:59644)
Last Modified
19 September 2018