CHEBI:57366 - L-3-aminobutanoyl-CoA(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-3-aminobutanoyl-CoA(3−)
ChEBI ID CHEBI:57366
ChEBI ASCII Name L-3-aminobutanoyl-CoA(3-)
Definition An acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino function of L-3-aminobutanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H40N8O17P3S
Net Charge -3
Average Mass 849.61500
Monoisotopic Mass 849.144
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)/p-3/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKey CCSDHAPTHIKZLY-VKBDFPRVSA-K
SMILES C[C@H]([NH3+])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
ChEBI Ontology
Outgoing L-3-aminobutanoyl-CoA(3−) (CHEBI:57366) is a acyl-CoA oxoanion (CHEBI:58946)
L-3-aminobutanoyl-CoA(3−) (CHEBI:57366) is conjugate base of L-3-aminobutanoyl-CoA (CHEBI:15512)
Incoming L-3-aminobutanoyl-CoA (CHEBI:15512) is conjugate acid of L-3-aminobutanoyl-CoA(3−) (CHEBI:57366)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(L-3-azaniumylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(3S)-3-aminobutanoyl-CoA UniProt
L-3-aminobutanoyl-CoA trianion ChEBI
L-3-aminobutanoyl-coenzyme A(3−) ChEBI
Last Modified
21 August 2018