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CHEBI:86329 - (9E)-9-nitrooctadecenoic acid

ChEBI IDCHEBI:86329
ChEBI Name(9E)-9-nitrooctadecenoic acid
Stars
ASCII Name(9E)-9-nitrooctadecenoic acid
DefinitionA nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 9.
Last Modified22 January 2016
Submitternamrata
DownloadsMolfile
FormulaC18H33NO4
Net Charge0
Average Mass327.465
Monoisotopic Mass327.24096
SMILESCCCCCCCC/C=C(\CCCCCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+
InChIKeyCQOAKBVRRVHWKV-SAPNQHFASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25502724)
- MetaboLights (MTBLS93)
- MetaboLights (MTBLS124)
- MetaboLights (MTBLS90)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(9E)-9-nitrooctadecenoic acid (CHEBI:86329) has functional parent elaidic acid (CHEBI:27997)
(9E)-9-nitrooctadecenoic acid (CHEBI:86329) has role human metabolite (CHEBI:77746)
(9E)-9-nitrooctadecenoic acid (CHEBI:86329) is a long-chain fatty acid (CHEBI:15904)
(9E)-9-nitrooctadecenoic acid (CHEBI:86329) is a monounsaturated fatty acid (CHEBI:25413)
(9E)-9-nitrooctadecenoic acid (CHEBI:86329) is a nitro fatty acid (CHEBI:86286)
IUPAC Name 
(9E)-9-nitrooctadec-9-enoic acid
Synonyms  Source
(E)-9-nitrooctadec-9-enoic acidChEBI
9-nitro-9E-octadecenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA01120004LIPID MAPS
Registry NumbersSources
Reaxys:10378656Reaxys
Citations