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CHEBI:131447 - 2-aminobenzoylacetyl-CoA(4−)

ChEBI IDCHEBI:131447
ChEBI Name2-aminobenzoylacetyl-CoA(4−)
Stars
ASCII Name2-aminobenzoylacetyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 2-aminobenzoylacetyl-CoA; major species at pH 7.3.
Last Modified16 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H39N8O18P3S
Net Charge-4
Average Mass924.669
Monoisotopic Mass924.13378
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)CC(=O)c1ccccc1N
InChIInChI=1S/C30H43N8O18P3S/c1-30(2,25(43)28(44)34-8-7-20(40)33-9-10-60-21(41)11-18(39)16-5-3-4-6-17(16)31)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h3-6,14-15,19,23-25,29,42-43H,7-13,31H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,23-,24-,25+,29-/m1/s1
InChIKeyOLOTULRNHWZRKJ-FUEUKBNZSA-J
ChEBI Ontology
Outgoing Relation(s)
2-aminobenzoylacetyl-CoA(4−) (CHEBI:131447) is a acyl-CoA(4−) (CHEBI:58342)
2-aminobenzoylacetyl-CoA(4−) (CHEBI:131447) is conjugate base of 2-aminobenzoylacetyl-CoA (CHEBI:131952)
Incoming Relation(s)
2-aminobenzoylacetyl-CoA (CHEBI:131952) is conjugate acid of 2-aminobenzoylacetyl-CoA(4−) (CHEBI:131447)
UniProt Name  Source
(2-aminobenzoyl)acetyl-CoAUniProt
Manual XrefsDatabases
CPD-19113MetaCyc
Citations