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trans-3-methylglutaconyl-CoA(5-)
Pentaanion of trans-3-methylglutaconyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


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04. Bioactive Capabilities of Specific Chemicals : Ligases [EC:6] > Forming carbon—carbon bonds [EC:6.4]
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04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Lyases [EC:4] (743) 
 Carbon-oxygen lyases [EC:4.2] (393) 
 Hydro-Lyases [EC:4.2.1] (219) 
 Methylglutaconyl-CoA hydratase [EC:4.2.1.18] (3) 
 trans-3-methylglutaconyl-CoA(5-) [CHEBI:57346] (1)
 Ligases [EC:6] (206) 
 Forming carbon—carbon bonds [EC:6.4] (23) 
 Ligases that form carbon-carbon bonds [EC:6.4.1] (23) 
 Methylcrotonoyl-CoA carboxylase [EC:6.4.1.4] (6) 
 trans-3-methylglutaconyl-CoA(5-) [CHEBI:57346] (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) 
 trans-3-methylglutaconyl-CoA(5-) [CHEBI:57346] (1)
 organic ion [CHEBI:25699] (3577) 
 organic anion [CHEBI:25696] (3155) 
 organophosphate oxoanion [CHEBI:58945] (1108) 
 acyl-CoA oxoanion [CHEBI:58946] (231) 
 trans-3-methylglutaconyl-CoA(5-) [CHEBI:57346] (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) 
 trans-3-methylglutaconyl-CoA(5-) [CHEBI:57346] (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) 
 trans-3-methylglutaconyl-CoA(5-) [CHEBI:57346] (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) 
 trans-3-methylglutaconyl-CoA(5-) [CHEBI:57346] (1)
ChEBI Compound Accession Identifier  [CHEBI:57346]
ChEBI Compound Description  Pentaanion of trans-3-methylglutaconyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
ChEBI Compound Identification Number  57346
ChEBI InChI Value  InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h8,12-13,15,20-22,26,39-40H,4-7,9-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b14-8+/t15-,20-,21-,22+,26-/m1/s1
ChEBI InChIKey Value  ZMMFWDHIXCPOHZ-XRYKKJIBSA-I
ChEBI Compound Name  trans-3-methylglutaconyl-CoA(5-)
ChEBI SMILES Value  C\C(CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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/C([O-])=O
ChEBI Substance ID  92741198
ChEBI URL  ChEBI:57346
ChemSpider ID  26330721
Ontomatica Chemical Accession Key (OnChAKey)  ZMMFWDHIXCPOHZ_XRYKKJIBSA_I_000_000000
PubChem Compound ID  45266577