EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C24H34N7O16P2S |
| Net Charge | -3 |
| Average Mass | 770.584 |
| Monoisotopic Mass | 770.12744 |
| SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)[O-] |
| InChI | InChI=1S/C24H37N7O16P2S/c1-24(2,19(38)22(39)27-4-3-13(32)26-5-6-50-15(35)7-14(33)34)9-45-49(42,43)47-48(40,41)44-8-12-17(36)18(37)23(46-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-38H,3-9H2,1-2H3,(H,26,32)(H,27,39)(H,33,34)(H,40,41)(H,42,43)(H2,25,28,29)/p-3/t12-,17-,18-,19+,23-/m1/s1 |
| InChIKey | FQUYCBYIAJRGRD-DVVLENMVSA-K |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3'-dephosphmalonyl CoA(3-) (CHEBI:760771) has functional parent 3'-dephospho-CoA(2−) (CHEBI:57328) |
| 3'-dephosphmalonyl CoA(3-) (CHEBI:760771) is a organophosphate oxoanion (CHEBI:58945) |
| UniProt Name | Source |
|---|---|
| 3'-dephospho-malonyl-CoA | UniProt |