2-methyl-3-hydroxybutyryl coenzyme A-Dehydrogenase
[CAS# 52227-66-4]

Identification

• Name: 2-methyl-3-hydroxybutyryl coenzyme A-Dehydrogenase
• Synonyms: (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA; (S)-3-Hydroxy-2-methylbutyryl-CoA; C04405
• Molecular Formula: C₂₆H₄₄N₇O₁₈P₃S
• Molecular Weight: 867.65
• CAS Registry Number: 52227-66-4
• SMILES: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3OP(=O)(O)O)[C@@H](C)[C@@H](O)C
• InChI: 1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,14-,15+,18+,19+,20?,24+/m0/s1
• InChIKey: PEKYNTFSOBAABV-SYASONGASA-N

Properties

• Density: 1.847g/cm³ (Cal.)