Reductase, trans-2,3-decenoyl coenzyme A
[CAS# 37325-74-9]

Identification

• Name: Reductase, trans-2,3-decenoyl coenzyme A
• Synonyms: (2E)-Decenoyl-CoA; 3'-phosphoadenosine 5'-[3-(4-{[3-({2-[(2E)-dec-2-noylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]; trans-2-decenoyl-coenzyme A
• Molecular Formula: C₃₁H₅₂N₇O₁₇P₃S
• Molecular Weight: 919.77
• CAS Registry Number: 37325-74-9
• 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=C/CCCCCCC
• InChI: 1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26?,30-/m1/s1
• InChIKey: MGNBGCRQQFMNBM-VHTAIFHGSA-N

Properties

• Density: 1.662g/cm³ (Cal.)