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2-oxepin-2(3H)-ylideneacetyl-CoA(4-)
"An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-oxepin-2(3H)-ylideneacetyl-CoA; major species at pH 7.3."

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04. Bioactive Capabilities of Specific Chemicals : Isomerases [EC:5] > Intramolecular isomerases [EC:5.3] > Transposing C=C Bonds [EC:5.3.3] > 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA isomerase [EC:5.3.3.18]
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04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Hydrolases [EC:3] (824) 
 Acting on ether bonds [EC:3.3] (27) 
 Ether hydrolases [EC:3.3.2] (20) 
 Oxepin-CoA hydrolase [EC:3.3.2.12] (3) 
 2-oxepin-2(3H)-ylideneacetyl-CoA(4-) [CHEBI:63252] (1)
 Isomerases [EC:5] (351) 
 Intramolecular isomerases [EC:5.3] (105) 
 Transposing C=C Bonds [EC:5.3.3] (29) 
 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA isomerase [EC:5.3.3.18] (2) 
 2-oxepin-2(3H)-ylideneacetyl-CoA(4-) [CHEBI:63252] (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-oxepin-2(3H)-ylideneacetyl-CoA(4-) [CHEBI:63252] (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-oxepin-2(3H)-ylideneacetyl-CoA(4-) [CHEBI:63252] (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-oxepin-2(3H)-ylideneacetyl-CoA(4-) [CHEBI:63252] (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-oxepin-2(3H)-ylideneacetyl-CoA(4-) [CHEBI:63252] (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-oxepin-2(3H)-ylideneacetyl-CoA(4-) [CHEBI:63252] (1)
ChEBI Compound Accession Identifier:   [CHEBI:63252]
ChEBI Compound Description:   "An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-oxepin-2(3H)-ylideneacetyl-CoA; major species at pH 7.3."
ChEBI Compound Identification Number:   63252
ChEBI InChI Value:   InChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-5,10,12,15-16,18,22-24,28,39-40H,6-9,11,13-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b17-12-/t18-,22-,23-,24+,28-/m1/s1
ChEBI InChIKey Value:   ZQZCWPBSHHYCMM-BETJHJQZSA-J
ChEBI Compound Name:   2-oxepin-2(3H)-ylideneacetyl-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)\C=C1\CC=CC=CO1
ChEBI Substance ID:   135610420
ChEBI URL:   ChEBI:63252
ChemSpider ID:   26333054
Ontomatica Chemical Accession Key (OnChAKey):   ZQZCWPBSHHYCMM_BETJHJQZSA_J_000_000000
PubChem Compound ID:   46926226