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12-Nitro-9Z,12Z-octadecadienoic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM33273

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₈H₃₁NO₄

charge

mass

325.22531

reference

InChIKey

ZYFTUIURWQWFKQ-QIAGQCQHSA-N

InChI

InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+

SMILES

CCCCC/C=C(\C/C=C\CCCCCCCC(=O)O)[N+](=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34150 chebi:34150	12-Nitro-9Z,12Z-octadecadienoic acid (9Z,12E)-12-Nitrooctadeca-9,12-dienoic acid (9Z,12Z)-12-Nitrooctadeca-9,12-dienoic acid 12-Nitro-9-cis,12-cis-octadecadienoic acid 12-Nitro-9Z,12Z-octadecadienoate
seed.compound:cpd09740 seedM:cpd09740	12-Nitro-9Z,12Z-octadecadienoate (9Z,12E)-12-Nitrooctadeca-9,12-dienoic acid (9Z,12Z)-12-Nitrooctadeca-9,12-dienoic acid 12-Nitro-9-cis,12-cis-octadecadienoic acid 12-Nitro-9Z,12Z-octadecadienoic acid 12-Nitrolinoleic acid
kegg.compound:C13958 keggC:C13958	12-Nitrolinoleic acid (9Z,12E)-12-Nitrooctadeca-9,12-dienoic acid 12-Nitro-9-cis,12-cis-octadecadienoic acid
lipidmaps:LMFA01120002 lipidmapsM:LMFA01120002	12-nitro-linoleic acid (9Z,12Z)-12-Nitrooctadeca-9,12-dienoic acid 12-nitro-9Z,12Z-octadecadienoic acid C12-LNO2
keggC:M_C13958 seedM:M_cpd09740	secondary/obsolete/fantasy identifier