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

ChEBI IDCHEBI:145546
ChEBI NameS-nitroso-coenzyme A(4−)
Stars
ASCII NameS-nitroso-coenzyme A(4-)
DefinitionTetraanion of S-nitrosothiol arising from deprotonation of phosphate and diphosphate groups; Major species at pH 7.3.
Last Modified6 March 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H31N8O17P3S
Net Charge-4
Average Mass792.507
Monoisotopic Mass792.07627
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSN=O
InChIInChI=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
InChIKeyCNWRHTNOZSOAKE-IBOSZNHHSA-J
ChEBI Ontology
Outgoing Relation(s)
S-nitroso-coenzyme A(4−) (CHEBI:145546) has functional parent coenzyme A(4−) (CHEBI:57287)
S-nitroso-coenzyme A(4−) (CHEBI:145546) is a organophosphate oxoanion (CHEBI:58945)
S-nitroso-coenzyme A(4−) (CHEBI:145546) is conjugate base of S-nitroso-coenzyme A (CHEBI:229721)
Incoming Relation(s)
S-nitroso-coenzyme A (CHEBI:229721) is conjugate acid of S-nitroso-coenzyme A(4−) (CHEBI:145546)
Synonym  Source
S-nitroso-coenzyme A tetraanionChEBI
UniProt Name  Source
S-nitroso-CoAUniProt
Citations