Identification Common Name Crotonyl-coenzyme A Class Small Molecule Description Crotonyl-coenzyme A belongs to the fatty acyl thioesters, a subclass of fatty acyls within the organic compounds. It has the formula C25H40N7O17P3S1. With an average molecular weight of 835.61 g/mol, Crotonyl-coenzyme A is a heavy molecule. It is further classified under the superclass of lipids and lipid-like molecules. Contaminant Sources Not Available Contaminant Type Not Available Chemical Structure Synonyms Value Source Crotonyl-CoA ChEBI trans-But-2-enoyl-CoA ChEBI trans-Butyr-2-enoyl-CoA ChEBI 2-Butenoyl-CoA Kegg But-2-enoyl-CoA Kegg (2E)-But-2-enoyl-CoA Kegg Crotonyl-coenzyme A HMDB (e)-But-2-enoyl-CoA ChEBI Crotonoyl-CoA HMDB Crotonoyl-coenzyme A HMDB Crotonyl coenzyme A HMDB trans-2-Butenoyl-CoA HMDB trans-2-Butenoyl-coenzyme A HMDB trans-Crotonoyl-CoA HMDB trans-Crotonoyl-coenzyme A HMDB trans-Crotonyl CoA HMDB
Chemical Formula C25 H40 N7 O17 P3 S1 Average Molecular Mass 835.610 g/mol Monoisotopic Mass 835.141 g/mol CAS Registry Number 992-67-6 IUPAC Name S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahepta decan-17-yl} but-2-enethioate Traditional Name (2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid SMILES CC=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)N1C=NC2=C(N)N=CN=C12 InChI Identifier InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1 InChI Key KFWWCMJSYSSPSK-CITAKDKDSA-N 
