Terminology Service for NFDI4Health
JSON

sulfinamide-coenzyme A(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_145548

A sulfinamide derivative of coenzyme A; major species at pH 7.3.

Term info

Label

sulfinamide-coenzyme A(4-)

database cross reference
Subsets

2_STAR

charge

-4

formula

C21H33N8O17P3S

has obo namespace

chebi_ontology

has related synonym

sulfinamide-CoA, sulfinamide-CoA(4-)

id

CHEBI:145548

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

mass

794.520

monoisotopicmass

794.09192

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