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

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ChEBI Name 2-aminobenzoylacetyl-CoA(4−) ChEBI ID CHEBI:131447 ChEBI ASCII Name 2-aminobenzoylacetyl-CoA(4-) Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 2-aminobenzoylacetyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H39N8O18P3S Net Charge -4 Average Mass 924.662 Monoisotopic Mass 924.13378 InChI InChI=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 InChIKey OLOTULRNHWZRKJ-FUEUKBNZSA-J SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(C4=CC=CC=C4N)=O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing 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 2-aminobenzoylacetyl-CoA (CHEBI:131952) is conjugate acid of 2-aminobenzoylacetyl-CoA(4−) (CHEBI:131447) Synonym Source (2-aminobenzoyl)acetyl-CoA UniProt Manual Xref Database CPD-19113 MetaCyc View more database links Citation Type Source 19788310 PubMed citation SUBMITTER Last Modified 16 May 2017