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CHEBI:145548 - sulfinamide-coenzyme A(4−)

ChEBI IDCHEBI:145548
ChEBI Namesulfinamide-coenzyme A(4−)
Stars
ASCII Namesulfinamide-coenzyme A(4-)
DefinitionA sulfinamide derivative of coenzyme A; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H33N8O17P3S
Net Charge-4
Average Mass794.523
Monoisotopic Mass794.09192
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)NCCS(N)=O
InChIInChI=1S/C21H37N8O17P3S/c1-21(2,16(32)19(33)25-4-3-12(30)24-5-6-50(23)41)8-43-49(39,40)46-48(37,38)42-7-11-15(45-47(34,35)36)14(31)20(44-11)29-10-28-13-17(22)26-9-27-18(13)29/h9-11,14-16,20,31-32H,3-8,23H2,1-2H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,22,26,27)(H2,34,35,36)/p-4/t11-,14-,15-,16+,20-,50?/m1/s1
InChIKeyMWWQQWXDRMNQHJ-YDMXNRAMSA-J
ChEBI Ontology
Outgoing Relation(s)
sulfinamide-coenzyme A(4−) (CHEBI:145548) has functional parent coenzyme A(4−) (CHEBI:57287)
sulfinamide-coenzyme A(4−) (CHEBI:145548) has functional parent organophosphate oxoanion (CHEBI:58945)
sulfinamide-coenzyme A(4−) (CHEBI:145548) is a S-conjugate (CHEBI:64987)
Synonym  Source
sulfinamide-CoA(4−)SUBMITTER
UniProt Name  Source
sulfinamide-CoAUniProt
Citations