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CHEBI:57352 - 4-aminobutanoyl-CoA(3−)

ChEBI IDCHEBI:57352
ChEBI Name4-aminobutanoyl-CoA(3−)
Stars
ASCII Name4-aminobutanoyl-CoA(3-)
DefinitionA triply-charged acyl-CoA arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of 4-aminobutanoyl-CoA.
Last Modified13 November 2017
DownloadsMolfile
FormulaC25H40N8O17P3S
Net Charge-3
Average Mass849.623
Monoisotopic Mass849.14614
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC[NH3+]
InChIInChI=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)/p-3/t14-,18-,19-,20+,24-/m1/s1
InChIKeyHHFBTTVZSVBPFP-CITAKDKDSA-K
ChEBI Ontology
Outgoing Relation(s)
4-aminobutanoyl-CoA(3−) (CHEBI:57352) is a acyl-CoA oxoanion (CHEBI:58946)
4-aminobutanoyl-CoA(3−) (CHEBI:57352) is conjugate base of 4-aminobutanoyl-CoA (CHEBI:15496)
Incoming Relation(s)
4-aminobutanoyl-CoA (CHEBI:15496) is conjugate acid of 4-aminobutanoyl-CoA(3−) (CHEBI:57352)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-azaniumylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
4-aminobutanoyl-CoA trianionChEBI
4-aminobutanoyl-coenzyme A(3−)ChEBI
UniProt Name  Source
4-aminobutanoyl-CoAUniProt