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CHEBI:144831 - (3S)-3-hydroxycyclohexane-1-carbonyl-CoA(4−)
| Formula | C28H42N7O18P3S |
| Net Charge | -4 |
| Average Mass | 889.664 |
| Monoisotopic Mass | 889.15418 |
| 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)C1CCC[C@H](O)C1 |
| InChI | InChI=1S/C28H46N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-17,20-22,26,36,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t15?,16-,17+,20+,21+,22-,26+/m0/s1 |
| InChIKey | NTWSKNYLVQNJHE-ICVJBFRHSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S)-3-hydroxycyclohexane-1-carbonyl-CoA(4−) (CHEBI:144831) is a acyl-CoA(4−) (CHEBI:58342) |
| UniProt Name | Source |
|---|---|
| (3S)-3-hydroxycyclohexane-1-carbonyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-22108 | MetaCyc |
| Citations |
|---|