CHEBI:15472 - anthraniloyl-CoA

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ChEBI Name anthraniloyl-CoA
ChEBI ID CHEBI:15472
Definition A member of the class of benzoyl-CoAs having 2-aminobenzoyl as the S-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11521, CHEBI:2758, CHEBI:13842, CHEBI:22579
Supplier Information
Download Molfile XML SDF
Formula C28H41N8O17P3S
Net Charge 0
Average Mass 886.65614
Monoisotopic Mass 886.15232
InChI InChI=1S/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
InChIKey XLURBJBQJZCJHJ-TYHXJLICSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing anthraniloyl-CoA (CHEBI:15472) has functional parent anthranilic acid (CHEBI:30754)
anthraniloyl-CoA (CHEBI:15472) has functional parent benzoyl-CoA (CHEBI:15515)
anthraniloyl-CoA (CHEBI:15472) is a benzoyl-CoAs (CHEBI:22736)
anthraniloyl-CoA (CHEBI:15472) is conjugate acid of anthraniloyl-CoA(4−) (CHEBI:57331)
Incoming anthraniloyl-CoA(4−) (CHEBI:57331) is conjugate base of anthraniloyl-CoA (CHEBI:15472)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-aminobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-Aminobenzoyl-CoA KEGG COMPOUND
anthraniloyl-coenzyme A ChEBI
Anthranilyl-CoA KEGG COMPOUND
anthranilyl-CoA ChEBI
anthranilyl-coenzyme A ChEBI
Manual Xrefs Databases
C02247 KEGG COMPOUND
COW PDBeChem
View more database links
Registry Number Type Source
11086248 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12054436 PubMed citation Europe PMC
18083812 PubMed citation Europe PMC
19694421 PubMed citation Europe PMC
7607242 PubMed citation Europe PMC
Last Modified
22 April 2015