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CHEBI:133901 - 3-aminobutyryl-CoA(3−)

ChEBI IDCHEBI:133901
ChEBI Name3-aminobutyryl-CoA(3−)
Stars
ASCII Name3-aminobutyryl-CoA(3-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of 3-aminobutyryl-CoA; major species at pH 7.3.
Last Modified7 March 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC25H40N8O17P3S
Net Charge-3
Average Mass849.623
Monoisotopic Mass849.14614
SMILESCC([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-/m1/s1
InChIKeyCCSDHAPTHIKZLY-RMNRSTNRSA-K
ChEBI Ontology
Outgoing Relation(s)
3-aminobutyryl-CoA(3−) (CHEBI:133901) is a acyl-CoA oxoanion (CHEBI:58946)
3-aminobutyryl-CoA(3−) (CHEBI:133901) is conjugate base of 3-aminobutyryl-CoA (CHEBI:28317)
Incoming Relation(s)
3-aminobutyryl-CoA (CHEBI:28317) is conjugate acid of 3-aminobutyryl-CoA(3−) (CHEBI:133901)
Synonyms  Source
3-aminobutanoyl-coenzyme A(3−)ChEBI
3-aminobutyryl-coenzyme A(3−)ChEBI
UniProt Name  Source
3-aminobutanoyl-CoAUniProt
Citations