CHEBI:15496 - 4-aminobutanoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-aminobutanoyl-CoA
ChEBI ID CHEBI:15496
Definition An aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 4-aminobutanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20319, CHEBI:1787, CHEBI:11962
Supplier Information
Download Molfile XML SDF
Formula C25H43N8O17P3S
Net Charge 0
Average Mass 852.63992
Monoisotopic Mass 852.16797
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
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCN
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-aminobutanoyl-CoA (CHEBI:15496) has functional parent γ-aminobutyric acid (CHEBI:16865)
4-aminobutanoyl-CoA (CHEBI:15496) has functional parent butyryl-CoA (CHEBI:15517)
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 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 Sources
4-Aminobutanoyl-CoA KEGG COMPOUND
4-aminobutanoyl-coenzyme A ChEBI
4-butyryl-CoA ChEBI
4-butyryl-coenzyme A ChEBI
GABA-CoA ChEBI
GABA-coenzyme A ChEBI
γ-aminobutanoyl-CoA ChEBI
γ-aminobutanoyl-coenzyme A ChEBI
γ-aminobutyryl-CoA ChEBI
γ-aminobutyryl-coenzyme A ChEBI
ω-aminobutyryl-CoA ChEBI
ω-aminobutyryl-coenzyme A ChEBI
Manual Xref Database
C02801 KEGG COMPOUND
View more database links
Last Modified
22 April 2015