CoA-glutathione mixed disulfide
Chemical Formula:
C31H46N10O22P3S2
Molecular Weight:
1067.799 Daltons
Monoisotopic Mass:
1073.1911893174 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
InChI:
1S/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(61-17)41-14-39-21-25(33)37-13-38-26(21)41/h13-17,22-24,29,46-47H,3-12,32H2,1-2H3,(H,34,42)(H,35,49)(H,36,48)(H,40,43)(H,44,45)(H,50,51)(H,55,56)(H,57,58)(H2,33,37,38)(H2,52,53,54)/p-5/t15-,16-,17+,22+,23+,24-,29+/m0/s1
InChIKey:
Synonyms
- coenzyme A-glutathione mixed disulfide
- CoA-glutathione
Databases
MetaCyc:
CPD-322
KEGG:
C00920
Seed:
cpd00682
MetaNetX:
MNXM2222