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CHEBI:747188 - 9-nitroelaidate

ChEBI IDCHEBI:747188
ChEBI Name9-nitroelaidate
Stars
DefinitionAn octadecenoate bearing a nitro substituent at position 9. Major microspecies at pH 7.3.
Last Modified14 January 2026
Submitterlaimo
DownloadsMolfile
FormulaC18H32NO4
Net Charge-1
Average Mass326.457
Monoisotopic Mass326.23368
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)/p-1/b17-14+
InChIKeyCQOAKBVRRVHWKV-SAPNQHFASA-M
ChEBI Ontology
Outgoing Relation(s)
9-nitroelaidate (CHEBI:747188) has functional parent oleate (CHEBI:30823)
9-nitroelaidate (CHEBI:747188) is a nitrogen-containing fatty acid anion (CHEBI:61008)
9-nitroelaidate (CHEBI:747188) is conjugate base of (9E)-9-nitrooctadecenoic acid (CHEBI:86329)
Synonyms  Source
(E)-9-nitrooctadec-9-enoateSUBMITTER
FA 18:1(9E;9NO2)SUBMITTER
UniProt Name  Source
(9)-nitro-(9E)-octadecenoateUniProt