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2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-)
"An acyl-CoA(4-) that is the tetraanion of 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA arising from deprotonation of the phosphate and diphosphate functions; major species at pH 7.3."


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04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Oxidoreductases [EC:1] (1697) 
 Acting on paired donors, with incorporation or reduction of molecular oxygen [EC:1.14] (587) 
 With NADH or NADPH as one donor, and incorporation of two atoms of oxygen into one donor [EC:1.14.12] (47) 
 Benzoyl-CoA 2,3-dioxygenase [EC:1.14.12.21] (6) 
 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) [CHEBI:58785] (1)
 Lyases [EC:4] (743) 
 Carbon-carbon lyases [EC:4.1] (299) 
 Aldehyde-Lyases [EC:4.1.2] (89) 
 Benzoyl-CoA-dihydrodiol lyase [EC:4.1.2.44] (5) 
 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) [CHEBI:58785] (1)
08. Chemical Category 
08. Chemical Category
 ion [CHEBI:24870] (4391) 
 anion [CHEBI:22563] (3454) 
 organic anion [CHEBI:25696] (3155) 
 organophosphate oxoanion [CHEBI:58945] (1108) 
 acyl-CoA oxoanion [CHEBI:58946] (231) 
 acyl-CoA(4-) [CHEBI:58342] (181) 
 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) [CHEBI:58785] (1)
 organic ion [CHEBI:25699] (3577) 
 organic anion [CHEBI:25696] (3155) 
 organophosphate oxoanion [CHEBI:58945] (1108) 
 acyl-CoA oxoanion [CHEBI:58946] (231) 
 acyl-CoA(4-) [CHEBI:58342] (181) 
 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) [CHEBI:58785] (1)
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 phosphorus molecular entity [CHEBI:26082] (2769) 
 phosphorus oxoacids and derivatives [CHEBI:36360] (2691) 
 phosphorus oxoacid derivative [CHEBI:36359] (2628) 
 phosphoric acid derivative [CHEBI:26079] (2611) 
 organophosphate oxoanion [CHEBI:58945] (1108) 
 acyl-CoA oxoanion [CHEBI:58946] (231) 
 acyl-CoA(4-) [CHEBI:58342] (181) 
 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) [CHEBI:58785] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 organic ion [CHEBI:25699] (3577) 
 organic anion [CHEBI:25696] (3155) 
 organophosphate oxoanion [CHEBI:58945] (1108) 
 acyl-CoA oxoanion [CHEBI:58946] (231) 
 acyl-CoA(4-) [CHEBI:58342] (181) 
 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) [CHEBI:58785] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 oxoacid derivative [CHEBI:33241] (3254) 
 phosphorus oxoacid derivative [CHEBI:36359] (2628) 
 phosphoric acid derivative [CHEBI:26079] (2611) 
 organophosphate oxoanion [CHEBI:58945] (1108) 
 acyl-CoA oxoanion [CHEBI:58946] (231) 
 acyl-CoA(4-) [CHEBI:58342] (181) 
 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) [CHEBI:58785] (1)
ChEBI Compound Accession Identifier  [CHEBI:58785]
ChEBI Compound Description  "An acyl-CoA(4-) that is the tetraanion of 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA arising from deprotonation of the phosphate and diphosphate functions; major species at pH 7.3."
ChEBI Compound Identification Number  58785
ChEBI InChI Value  InChI=1S/C28H42N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(37)30-8-9-58-27(42)14-4-3-5-15(36)19(14)38)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-18-23(29)32-12-33-24(18)35/h3-5,12-13,15-16,19-22,26,36,38-40H,6-11H2,1-2H3,(H,30,37)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-4/t15?,16-,19?,20-,21-,22+,26-/m1/s1
ChEBI InChIKey Value  FZYRZXMIVBMRTC-JKRHTJORSA-J
ChEBI Compound Name  2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-)
ChEBI SMILES Value  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)C1=CC=CC(O)C1O
ChEBI Substance ID  92741659
ChEBI URL  ChEBI:58785
ChemSpider ID  26331359
Ontomatica Chemical Accession Key (OnChAKey)  FZYRZXMIVBMRTC_JKRHTJORSA_J_000_000000
PubChem Compound ID  45266766