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

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ChEBI Name 10-cys-9-nitro-octadecenoic acid
ChEBI ID CHEBI:184534
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H38N2O6S
Net Charge 0
Average Mass 446.600
Monoisotopic Mass 446.24506
InChI InChI=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
InChIKey DYMGJCHVJRXQGM-OKCJRLRQSA-N
SMILES S(C(C([N+]([O-])=O)CCCCCCCC(O)=O)/C=C/CCCCCC)C[C@H](N)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
113369152 ChemSpider
LMFA01120012 LIPID MAPS
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