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CHEBI:27874 - 3-hydroxy-3-methylbutyl-CoA
| Formula | C26H46N7O17P3S |
| Net Charge | 0 |
| Average Mass | 853.675 |
| Monoisotopic Mass | 853.18837 |
| SMILES | CC(C)(O)CCSCCNC(=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 |
| InChI | InChI=1S/C26H46N7O17P3S/c1-25(2,20(36)23(37)29-7-5-16(34)28-8-10-54-9-6-26(3,4)38)12-47-53(44,45)50-52(42,43)46-11-15-19(49-51(39,40)41)18(35)24(48-15)33-14-32-17-21(27)30-13-31-22(17)33/h13-15,18-20,24,35-36,38H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1 |
| InChIKey | WARAAVQLBVQAKL-DJVIHCHSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-3-methylbutyl-CoA (CHEBI:27874) has functional parent coenzyme A (CHEBI:15346) |
| 3-hydroxy-3-methylbutyl-CoA (CHEBI:27874) is a S-alkyl-CoA (CHEBI:62204) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-Hydroxyisopentyl-CoA | KEGG COMPOUND |
| 3-Hydroxyisopentyl coenzyme A | KEGG COMPOUND |
| 3-hydroxy-3-methylbutyl coenzyme A | ChEBI |
| 3-hydroxyisovaleryl-coenzyme A | ChEBI |
| 3-hydroxyisovaleryl-CoA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA07050208 | LIPID MAPS |
| Citations |
|---|