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cis-3,4-didehydroadipoyl-CoA semialdehyde(4-)
Tetraanion of cis-3,4-didehydroadipoyl-CoA semialdehyde arising from deprotonation of the phosphate and diphosphate functions.


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04. Bioactive Capabilities of Specific Chemicals : Lyases [EC:4] > Carbon-carbon lyases [EC:4.1] > Aldehyde-Lyases [EC:4.1.2] > Benzoyl-CoA-dihydrodiol lyase [EC:4.1.2.44] > cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787]
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04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Oxidoreductases [EC:1] (1697) 
 Acting on the aldehyde or oxo group of donors [EC:1.2] (133) 
 With NAD or NADP as acceptor [EC:1.2.1] (114) 
 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase (NADP(+)) [EC:1.2.1.77] (6) 
 cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787] (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) 
 cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787] (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) 
 cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787] (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) 
 cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787] (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) 
 cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787] (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) 
 cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787] (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) 
 cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) [CHEBI:58787] (1)
ChEBI Compound Accession Identifier  [CHEBI:58787]
ChEBI Compound Description  Tetraanion of cis-3,4-didehydroadipoyl-CoA semialdehyde arising from deprotonation of the phosphate and diphosphate functions.
ChEBI Compound Identification Number  58787
ChEBI InChI Value  InChI=1S/C27H42N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19)34/h3-4,10,14-16,20-22,26,38-39H,5-9,11-13H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/b4-3-/t16-,20-,21-,22+,26-/m1/s1
ChEBI InChIKey Value  HTYJHFRYROLBDM-YINSCCIPSA-J
ChEBI Compound Name  cis-3,4-didehydroadipoyl-CoA semialdehyde(4-)
ChEBI SMILES Value  [H]C(=O)C\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
ChEBI Substance ID  92741661
ChEBI URL  ChEBI:58787
ChemSpider ID  26331361
Ontomatica Chemical Accession Key (OnChAKey)  HTYJHFRYROLBDM_YINSCCIPSA_J_000_000000
PubChem Compound ID  45266768