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CHEBI:86285 - (9E)-10-nitrooctadecenoic acid

Default Structure
ChEBI IDCHEBI:86285
ChEBI Name(9E)-10-nitrooctadecenoic acid
Stars
ASCII Name(9E)-10-nitrooctadecenoic acid
DefinitionA nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10.
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/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+
InChIKeyWRADPCFZZWXOTI-BMRADRMJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS90)
- MetaboLights (MTBLS124)
- MetaboLights (MTBLS93)
- PubMed (25502724)
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).
Applications:
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) has functional parent elaidic acid (CHEBI:27997)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) has role anti-asthmatic agent (CHEBI:65023)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) has role antihypertensive agent (CHEBI:35674)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) has role human metabolite (CHEBI:77746)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) has role renoprotective agent (CHEBI:231911)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) is a long-chain fatty acid (CHEBI:15904)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) is a monounsaturated fatty acid (CHEBI:25413)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) is a nitro fatty acid (CHEBI:86286)
(9E)-10-nitrooctadecenoic acid (CHEBI:86285) is a organic molecular entity (CHEBI:50860)
Incoming Relation(s)
10-nitroelaidate (CHEBI:747187) is conjugate base of (9E)-10-nitrooctadecenoic acid (CHEBI:86285)
IUPAC Name 
(9E)-10-nitrooctadec-9-enoic acid
Synonyms  Source
10-nitro-9E-octadecenoic acidLIPID MAPS
10-nitroelaidic acidChEBI
10-nitro-oleic acidChEMBL
cxa-10ChEMBL
CXA-10ChEMBL
E-10-no2-18:1ChEMBL
Manual XrefsDatabases
LMFA01120003LIPID MAPS
Registry NumbersSources
Reaxys:10378886Reaxys
Citations