CHEBI:145546 - S-nitroso-coenzyme A(4−)

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ChEBI Name S-nitroso-coenzyme A(4−)
ChEBI ID CHEBI:145546
ChEBI ASCII Name S-nitroso-coenzyme A(4-)
Definition A S-nitrosothiol derivative of coenzyme A; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C21H31N8O17P3S
Net Charge -4
Average Mass 792.500
Monoisotopic Mass 792.07627
InChI InChI=1S/C21H35N8O17P3S/c1-21(2,16(32)19(33)24-4-3-12(30)23-5-6-50-28-34)8-43-49(40,41)46-48(38,39)42-7-11-15(45-47(35,36)37)14(31)20(44-11)29-10-27-13-17(22)25-9-26-18(13)29/h9-11,14-16,20,31-32H,3-8H2,1-2H3,(H,23,30)(H,24,33)(H,38,39)(H,40,41)(H2,22,25,26)(H2,35,36,37)/p-4/t11-,14-,15-,16+,20-/m1/s1
InChIKey CNWRHTNOZSOAKE-IBOSZNHHSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSN=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing S-nitroso-coenzyme A(4−) (CHEBI:145546) has functional parent coenzyme A(4−) (CHEBI:57287)
S-nitroso-coenzyme A(4−) (CHEBI:145546) is a nitrosothio compound (CHEBI:145545)
Synonym Source
S-nitroso-CoA UniProt
Citation Waiting for Citations Type Source
31649033 PubMed citation SUBMITTER