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CHEBI:184534 - 10-cys-9-nitro-octadecenoic acid

ChEBI IDCHEBI:184534
ChEBI Name10-cys-9-nitro-octadecenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38N2O6S
Net Charge0
Average Mass446.610
Monoisotopic Mass446.24506
SMILESCCCCCC/C=C/C(SC[C@H](N)C(=O)O)C(CCCCCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C21H38N2O6S/c1-2-3-4-5-8-11-14-19(30-16-17(22)21(26)27)18(23(28)29)13-10-7-6-9-12-15-20(24)25/h11,14,17-19H,2-10,12-13,15-16,22H2,1H3,(H,24,25)(H,26,27)/b14-11+/t17-,18?,19?/m0/s1
InChIKeyDYMGJCHVJRXQGM-OKCJRLRQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-cys-9-nitro-octadecenoic acid (CHEBI:184534) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-10-[(2R)-2-amino-2-carboxyethyl]sulanyl-9-nitrooctadec-11-enoic acid
Manual XrefsDatabases
113369152ChemSpider
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