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CHEBI:85587 - 9-hydroperoxy-10E-octadecenoic acid

ChEBI IDCHEBI:85587
ChEBI Name9-hydroperoxy-10E-octadecenoic acid
Stars
ASCII Name9-hydroperoxy-10E-octadecenoic acid
DefinitionA hydroperoxy fatty acid that is 9-hydroperoxy derivative of (10E)-octadecenoic acid.
Last Modified20 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H34O4
Net Charge0
Average Mass314.466
Monoisotopic Mass314.24571
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)/b14-11+
InChIKeyDIKRZYGTMAMIKZ-SDNWHVSQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587) has functional parent oleic acid (CHEBI:16196)
9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587) is a hydroperoxyoctadecenoic acid (CHEBI:134613)
9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587) is conjugate acid of 9-hydroperoxy-10E-octadecenoate (CHEBI:77754)
Incoming Relation(s)
1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:77753) has functional parent 9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587)
9-hydroperoxy-10E-octadecenoate (CHEBI:77754) is conjugate base of 9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587)
IUPAC Name 
(10E)-9-hydroperoxyoctadec-10-enoic acid
Synonyms  Source
9-HpOMELIPID MAPS
9-hydroperoxy-10E-octadecenoic acidLIPID MAPS
trans-9-hydroperoxyoctadec-10-enoic acidChEBI
Manual XrefsDatabases
LMFA02000117LIPID MAPS
Registry NumbersSources
Reaxys:5037051Reaxys
Citations