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CHEBI:15496 - 4-aminobutanoyl-CoA
| Formula | C25H43N8O17P3S |
| Net Charge | 0 |
| Average Mass | 852.647 |
| Monoisotopic Mass | 852.16797 |
| 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)CCCN |
| InChI | InChI=1S/C25H43N8O17P3S/c1-25(2,20(37)23(38)29-7-5-15(34)28-8-9-54-16(35)4-3-6-26)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37H,3-11,26H2,1-2H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1 |
| InChIKey | HHFBTTVZSVBPFP-CITAKDKDSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-aminobutanoyl-CoA (CHEBI:15496) has functional parent butyryl-CoA (CHEBI:15517) |
| 4-aminobutanoyl-CoA (CHEBI:15496) has functional parent γ-aminobutyric acid (CHEBI:16865) |
| 4-aminobutanoyl-CoA (CHEBI:15496) is a aminobutanoyl-CoA (CHEBI:22500) |
| 4-aminobutanoyl-CoA (CHEBI:15496) is conjugate acid of 4-aminobutanoyl-CoA(3−) (CHEBI:57352) |
| Incoming Relation(s) |
| 4-aminobutanoyl-CoA(3−) (CHEBI:57352) is conjugate base of 4-aminobutanoyl-CoA (CHEBI:15496) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 4-Aminobutanoyl-CoA | KEGG COMPOUND |
| 4-aminobutanoyl-coenzyme A | ChEBI |
| GABA-CoA | ChEBI |
| 4-butyryl-coenzyme A | ChEBI |
| γ-aminobutyryl-CoA | ChEBI |
| γ-aminobutanoyl-CoA | ChEBI |