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Nitrosoglutathione

CAT: 0127-BUP06420-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06420-01Size:5 mg
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CAS Number
57564-91-7
Synonyms
S-Nitrosoglutathione, SNOG, Glutathione thionitrite, GSNO
Purity
=98%
Smiles
N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(O)=O)C(O)=O

Chemical Information

S-Nitrosoglutathione

S-nitrosoglutathione is a glutathione derivative that is glutathione in which the hydrogen attached to the sulfur has been replaced by a nitroso group. It has a role as a bronchodilator agent, a platelet aggregation inhibitor, a nitric oxide donor and a signalling molecule. It is a nitrosothio compound and a glutathione derivative. It is a conjugate acid of a S-nitrosoglutathione(2-).

CAS Number57564-91-7
PubChem CID104858
IUPAC Name(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-nitrososulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC10H16N4O7S
Molecular Weight336.32
XLogP-4.8
Topological Polar Surface Area214
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity445
SMILES
C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1
InChIKey
HYHSBSXUHZOYLX-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of S-Nitrosoglutathione
CAS: 57564-91-7
CID: 104858
Formula: C10H16N4O7S
MW: 336.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.32
XLogP3-4.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass336.07397004
Monoisotopic Mass336.07397004
Topological Polar Surface Area214 Ų
Heavy Atom Count22
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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