CHEBI:28317 - 3-aminobutyryl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-aminobutyryl-CoA
ChEBI ID CHEBI:28317
Definition An aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-aminobutanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1453, CHEBI:19964
Supplier Information
Download Molfile XML SDF
Formula C25H43N8O17P3S
Net Charge 0
Average Mass 852.63992
Monoisotopic Mass 852.16797
InChI InChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1
InChIKey CCSDHAPTHIKZLY-RMNRSTNRSA-N
SMILES CC(N)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
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 3-aminobutyryl-CoA (CHEBI:28317) has functional parent 3-aminobutanoic acid (CHEBI:37081)
3-aminobutyryl-CoA (CHEBI:28317) has functional parent butyryl-CoA (CHEBI:15517)
3-aminobutyryl-CoA (CHEBI:28317) is a aminobutanoyl-CoA (CHEBI:22500)
3-aminobutyryl-CoA (CHEBI:28317) is conjugate acid of 3-aminobutyryl-CoA(3−) (CHEBI:133901)
Incoming L-3-aminobutanoyl-CoA (CHEBI:15512) is a 3-aminobutyryl-CoA (CHEBI:28317)
3-aminobutyryl-CoA(3−) (CHEBI:133901) is conjugate base of 3-aminobutyryl-CoA (CHEBI:28317)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-Aminobutanoyl-CoA KEGG COMPOUND
3-aminobutanoyl-coenzyme A ChEBI
3-aminobutyryl-CoA ChEBI
3-aminobutyryl-coenzyme A ChEBI
Manual Xref Database
C05117 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
17166837 PubMed citation Europe PMC
7410315 PubMed citation Europe PMC
Last Modified
22 April 2015