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CHEBI:166974 - IC-asc-ΔC9-CoA(4−)
| Formula | C45H61N8O22P3S |
| Net Charge | -4 |
| Average Mass | 1191.006 |
| Monoisotopic Mass | 1190.28559 |
| SMILES | C[C@H](CCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2cnc3ccccc23)C[C@H]1O |
| InChI | InChI=1S/C45H65N8O22P3S/c1-25(70-44-30(54)19-31(26(2)71-44)73-43(60)28-20-49-29-13-10-9-12-27(28)29)11-7-5-6-8-14-34(56)79-18-17-47-33(55)15-16-48-41(59)38(58)45(3,4)22-69-78(66,67)75-77(64,65)68-21-32-37(74-76(61,62)63)36(57)42(72-32)53-24-52-35-39(46)50-23-51-40(35)53/h8-10,12-14,20,23-26,30-32,36-38,42,44,49,54,57-58H,5-7,11,15-19,21-22H2,1-4H3,(H,47,55)(H,48,59)(H,64,65)(H,66,67)(H2,46,50,51)(H2,61,62,63)/p-4/b14-8+/t25-,26+,30-,31-,32-,36-,37-,38+,42-,44-/m1/s1 |
| InChIKey | ULAHBGLKYQKMTI-VSHRVGAASA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| IC-asc-ΔC9-CoA(4−) (CHEBI:166974) is a acyl-CoA(4−) (CHEBI:58342) |
| UniProt Name | Source |
|---|---|
| IC-asc-ΔC9-CoA | UniProt |
| Citations |
|---|