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CHEBI:144823 - (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4−)
| Formula | C28H38N7O19P3S |
| Net Charge | -4 |
| Average Mass | 901.631 |
| Monoisotopic Mass | 901.11780 |
| SMILES | CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=C[C@@H](O)[C@H](O)C=C1 |
| InChI | InChI=1S/C28H42N7O19P3S/c1-28(2,22(40)25(41)31-6-5-18(38)30-7-8-58-27(42)14-3-4-15(36)16(37)9-14)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)35-13-34-19-23(29)32-12-33-24(19)35/h3-4,9,12-13,15-17,20-22,26,36-37,39-40H,5-8,10-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-4/t15-,16-,17-,20-,21-,22+,26-/m1/s1 |
| InChIKey | IVBQPDODGZRFEX-VMLLLTOESA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4−) (CHEBI:144823) is a acyl-CoA(4−) (CHEBI:58342) |
| UniProt Name | Source |
|---|---|
| (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-22104 | MetaCyc |
| Citations |
|---|