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CHEBI:34125 - 10-Nitro-9Z,12Z-octadecadienoic acid

ChEBI IDCHEBI:34125
ChEBI Name10-Nitro-9Z,12Z-octadecadienoic acid
Stars
Last Modified23 February 2022
DownloadsMolfile
FormulaC18H31NO4
Net Charge0
Average Mass325.449
Monoisotopic Mass325.22531
SMILESCCCCC/C=C\C/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
InChIKeyLELVHAQTWXTCLY-XYWKCAQWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (16227625)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
10-Nitro-9Z,12Z-octadecadienoic acid (CHEBI:34125) is a nitro fatty acid (CHEBI:86286)
10-Nitro-9Z,12Z-octadecadienoic acid (CHEBI:34125) is a octadecadienoic acid (CHEBI:25627)
Synonyms  Source
10-Nitro-9Z,12Z-octadecadienoic acidKEGG COMPOUND
10-Nitro-9Z,12Z-octadecadienoateKEGG COMPOUND
(9Z,12Z)-10-Nitrooctadeca-9,12-dienoic acidKEGG COMPOUND
10-nitro-9-cis,12-cis-octadecadienoic acidKEGG COMPOUND
10-nitro-9-cis,12-cis-octadecadienoateKEGG COMPOUND
(9E,12Z)-10-Nitrooctadeca-9,12-dienoic acidKEGG COMPOUND
Manual XrefsDatabases
C13800KEGG COMPOUND
LNAPDBeChem
HMDB0005049HMDB
Registry NumbersSources
CAS:774603-04-2KEGG COMPOUND
Citations