Substrate Report for: HOPODA
HOPODA | Type | Ketone |
| Other_Name | (3E,5R)-8-(2-chlorophenyl)-5-methyl-2,6diooxooct-3-enoate |
| Chemical_Nomenclature | (E,5R)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoic acid |
| Formula | C15H15ClO4 |
| MW | 294.73 |
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| Paper | Lack_2010_J.Biol.Chem_285_434 |
| Structure | 2WUE |
| Gene_locus | myctu-Rv3569c |
| CID | 44237095 |
| Family | Carbon-carbon_bond_hydrolase |
| InChIKey | OXPYJYFFTOKNRF-QEHWCHDUSA-N |
| CanonicalSMILES | CC(C=CC(=O)C(=O)O)C(=O)CCC1=CC=CC=C1Cl |
| InChI | InChI=1S/C15H15ClO4/c1-10(6-8-14(18)15(19)20)13(17)9-7-11-4-2-3-5-12(11)16/h2-6,8,10H,7,9H2,1H3,(H,19,20)/b8-6+/t10-/m1/s1 |
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