EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:57366
ChEBI NameL-3-aminobutanoyl-CoA(3−)
Stars
ASCII NameL-3-aminobutanoyl-CoA(3-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino function of L-3-aminobutanoyl-CoA.
Last Modified21 August 2018
DownloadsMolfile
FormulaC25H40N8O17P3S
Net Charge-3
Average Mass849.623
Monoisotopic Mass849.14614
SMILESC[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](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)/p-3/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKeyCCSDHAPTHIKZLY-VKBDFPRVSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
L-3-aminobutanoyl-coenzyme A(3−)ChEBI
L-3-aminobutanoyl-CoA trianionChEBI
UniProt Name  Source
(3S)-3-aminobutanoyl-CoAUniProt