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CHEBI:77754 - 9-hydroperoxy-10E-octadecenoate

ChEBI IDCHEBI:77754
ChEBI Name9-hydroperoxy-10E-octadecenoate
Stars
ASCII Name9-hydroperoxy-10E-octadecenoate
DefinitionA hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of 9-hydroperoxy-10E-octadecenoic acid. The major species at pH 7.3.
Last Modified20 February 2017
Submitternhn
DownloadsMolfile
FormulaC18H33O4
Net Charge-1
Average Mass313.458
Monoisotopic Mass313.23843
SMILESCCCCCCC/C=C/C(CCCCCCCC(=O)[O-])OO
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b14-11+
InChIKeyDIKRZYGTMAMIKZ-SDNWHVSQSA-M
ChEBI Ontology
Outgoing Relation(s)
9-hydroperoxy-10E-octadecenoate (CHEBI:77754) is a hydroperoxyoctadecenoate (CHEBI:133557)
9-hydroperoxy-10E-octadecenoate (CHEBI:77754) is conjugate base of 9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587)
Incoming Relation(s)
9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587) is conjugate acid of 9-hydroperoxy-10E-octadecenoate (CHEBI:77754)
IUPAC Name 
(10E)-9-hydroperoxyoctadec-10-enoate
Synonym  Source
trans-9-hydroperoxyoctadec-10-enoateChEBI
UniProt Name  Source
9-hydroperoxy-10E-octadecenoateUniProt
Citations