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

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ChEBI Name S-nitroso-N-acetyl-D-penicillamine
ChEBI ID CHEBI:77702
ChEBI ASCII Name S-nitroso-N-acetyl-D-penicillamine
Definition A nitroso compound that is N-acetyl-D-penicillamine in which the sulfanyl hydrogen is replaced by a nitroso group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:36754241, ZINC000003874972
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Formula C7H12N2O4S
Net Charge 0
Average Mass 220.24600
Monoisotopic Mass 220.05178
InChI InChI=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
InChIKey ZIIQCSMRQKCOCT-YFKPBYRVSA-N
SMILES CC(=O)N[C@@H](C(O)=O)C(C)(C)SN=O
Roles Classification
Chemical Role(s): nitric oxide donor
An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.
Application(s): vasodilator agent
A drug used to cause dilation of the blood vessels.
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ChEBI Ontology
Outgoing 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 Sources
N-Acetyl-S-nitrosopenicillamine ChemIDplus
S-nitroso-N-acetylpenicillamine ChEBI
S-Nitrosoacetylpenicillamine ChemIDplus
S-Nonap ChemIDplus
SNAP ChemIDplus
Manual Xref Database
S-Nitroso-N-acetylpenicillamine Wikipedia
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Registry Numbers Types Sources
6646600 Reaxys Registry Number Reaxys
79032-48-7 CAS Registry Number ChemIDplus
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Last Modified
17 March 2014