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CHEBI:77702 - S-nitroso-N-acetyl-D-penicillamine

ChEBI IDCHEBI:77702
ChEBI NameS-nitroso-N-acetyl-D-penicillamine
Stars
ASCII NameS-nitroso-N-acetyl-D-penicillamine
DefinitionA nitroso compound that is N-acetyl-D-penicillamine in which the sulfanyl hydrogen is replaced by a nitroso group.
Last Modified17 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC7H12N2O4S
Net Charge0
Average Mass220.250
Monoisotopic Mass220.05178
SMILESCC(=O)N[C@@H](C(=O)O)C(C)(C)SN=O
InChIInChI=1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/t5-/m0/s1
InChIKeyZIIQCSMRQKCOCT-YFKPBYRVSA-N
Wikipedia
Roles Classification
Chemical Role:
nitric oxide donor  An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
S-nitroso-N-acetyl-D-penicillamine (CHEBI:77702) has functional parent N-acetyl-D-penicillamine (CHEBI:61198)
S-nitroso-N-acetyl-D-penicillamine (CHEBI:77702) has role nitric oxide donor (CHEBI:50566)
S-nitroso-N-acetyl-D-penicillamine (CHEBI:77702) has role vasodilator agent (CHEBI:35620)
S-nitroso-N-acetyl-D-penicillamine (CHEBI:77702) is a nitroso compound (CHEBI:35800)
S-nitroso-N-acetyl-D-penicillamine (CHEBI:77702) is a nitrosothio compound (CHEBI:145545)
IUPAC Name 
N-acetyl-3-(nitrososulfanyl)-D-valine
Synonyms  Source
S-nitroso-N-acetylpenicillamineChEBI
N-Acetyl-S-nitrosopenicillamineChemIDplus
SNAPChemIDplus
S-NitrosoacetylpenicillamineChemIDplus
S-NonapChemIDplus
Manual XrefsDatabases
S-Nitroso-N-acetylpenicillamineWikipedia
Registry NumbersSources
Reaxys:6646600Reaxys
CAS:79032-48-7ChemIDplus
Citations