Malonyl-CoA semialdehyde
[CAS# 6244-93-5]

Identification

• Name: Malonyl-CoA semialdehyde
• Synonyms: 3-Oxopropionyl-CoA; C05989
• Molecular Formula: C₂₄H₃₈N₇O₁₈P₃S
• Molecular Weight: 837.58
• CAS Registry Number: 6244-93-5
• SMILES: O=CCC(=O)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
• InChI: 1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1
• InChIKey: NMEYBPUHJHMRHU-UXYNFSPESA-N

Properties

• Density: 1.906g/cm³ (Cal.)