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 No supplier information found for this compound.
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 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
Stomberski CT, Anand P, Venetos NM, Hausladen A, Zhou HL, Premont RT, Stamler JS (2019)
AKR1A1 is a novel mammalian S-nitroso-glutathione reductase.
The Journal of biological chemistry 294, 18285-18293 (Source: SUBMITTER) [PubMed:31649033]
[show Abstract]
Last Modified
06 March 2024