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 Tetraanion of S-nitrosothiol arising from deprotonation of phosphate and diphosphate groups; Major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSN=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 organophosphate oxoanion (CHEBI:58945) S-nitroso-coenzyme A(4−) (CHEBI:145546) is conjugate base of S-nitroso-coenzyme A (CHEBI:229721) Incoming S-nitroso-coenzyme A (CHEBI:229721) is conjugate acid of S-nitroso-coenzyme A(4−) (CHEBI:145546) Synonyms Sources S-nitroso-CoA UniProt S-nitroso-coenzyme A tetraanion ChEBI Citation Type Source 31649033 PubMed citation SUBMITTER Last Modified 06 March 2024