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CHEBI:28317 - 3-aminobutyryl-CoA

ChEBI IDCHEBI:28317
ChEBI Name3-aminobutyryl-CoA
Stars
DefinitionAn aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-aminobutanoic acid.
Secondary ChEBI IDsCHEBI:1453, CHEBI:19964
Last Modified22 April 2015
DownloadsMolfile
FormulaC25H43N8O17P3S
Net Charge0
Average Mass852.647
Monoisotopic Mass852.16797
SMILESCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyCCSDHAPTHIKZLY-RMNRSTNRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
3-Aminobutanoyl-CoAKEGG COMPOUND
3-aminobutyryl-CoAChEBI
3-aminobutanoyl-coenzyme AChEBI
3-aminobutyryl-coenzyme AChEBI
Manual XrefsDatabases
C05117KEGG COMPOUND
Citations