CHEBI:15470 - 2,4-dichlorobenzoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,4-dichlorobenzoyl-CoA
ChEBI ID CHEBI:15470
Definition A dichlorobenzoyl-CoA having 2,4-dichlorobenzoyl as the S-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:908, CHEBI:11439, CHEBI:19349
Supplier Information
Download Molfile XML SDF
Formula C28H38Cl2N7O17P3S
Net Charge 0
Average Mass 940.53098
Monoisotopic Mass 939.06348
InChI InChI=1S/C28H38Cl2N7O17P3S/c1-28(2,22(40)25(41)33-6-5-18(38)32-7-8-58-27(42)15-4-3-14(29)9-16(15)30)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)37-13-36-19-23(31)34-12-35-24(19)37/h3-4,9,12-13,17,20-22,26,39-40H,5-8,10-11H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17-,20-,21-,22+,26-/m1/s1
InChIKey MBVYUVNTXZVQRL-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)c1ccc(Cl)cc1Cl
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 2,4-dichlorobenzoyl-CoA (CHEBI:15470) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748)
2,4-dichlorobenzoyl-CoA (CHEBI:15470) has functional parent benzoyl-CoA (CHEBI:15515)
2,4-dichlorobenzoyl-CoA (CHEBI:15470) is a dichlorobenzoyl-CoA (CHEBI:23698)
2,4-dichlorobenzoyl-CoA (CHEBI:15470) is conjugate acid of 2,4-dichlorobenzoyl-CoA(4−) (CHEBI:57329)
Incoming 2,4-dichlorobenzoyl-CoA(4−) (CHEBI:57329) is conjugate base of 2,4-dichlorobenzoyl-CoA (CHEBI:15470)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,4-dichlorobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2,4-Dichlorobenzoyl-CoA KEGG COMPOUND
2,4-dichlorobenzoyl-coenzyme A ChEBI
Manual Xrefs Databases
c0189 UM-BBD
C06671 KEGG COMPOUND
View more database links
Citation Waiting for Citations Type Source
8626335 PubMed citation Europe PMC
Last Modified
22 April 2015