CoA-disulfide
Chemical Formula:
C42H62N14O32P6S2
Molecular Weight:
1524.989 Daltons
Monoisotopic Mass:
1532.2147666669998 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])COP(=O)(OP(=O)(OCC4(C(OP([O-])(=O)[O-])C(O)C(O4)N6(C5(=C(C(N)=NC=N5)N=C6))))[O-])[O-]
InChI:
1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/p-8/t21-,22-,27?,28?,29?,30?,31-,32-,39-,40-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-317
ChEBI:
16161
PubChem (CID):
25200721
KEGG:
C02015
Seed:
cpd01378
MetaNetX:
MNXM2360