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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name sulfinamide-coenzyme A(4−)
ChEBI ID CHEBI:145548
ChEBI ASCII Name sulfinamide-coenzyme A(4-)
Definition A sulfinamide 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 C21H33N8O17P3S
Net Charge -4
Average Mass 794.520
Monoisotopic Mass 794.09192
InChI InChI=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
InChIKey MWWQQWXDRMNQHJ-YDMXNRAMSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCS(N)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 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)
Synonyms Sources
sulfinamide-CoA UniProt
sulfinamide-CoA(4−) SUBMITTER
Citation Waiting for Citations Type Source
31649033 PubMed citation SUBMITTER