| Compound-ID | 5943 |
| Common Name | CoA-disulfide |
| Synonyms |
CoASSCoA
|
| InChI |
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-/m1/s1
|
| SMILES |
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC4OC(C(O)C4(OP(O)(O)=O))n6cnc5c(N)ncnc56
|
| External Links | |
| KEGG-COMPOUND-ID |
C02015
|
| PUBCHEM-ID | 5111 |
| ChEBI-ID |
16161
62209 3772 20880 13296 |
| METACYC-ID | CPD-317 |
| METANETX-ID | MNXM732831 |
|
View all entries for compound: CoA-disulfide |