methoxymalonyl-CoA

More details:

• Systematic name

  3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-methoxy-3-oxo-propanoic acid

• SMILES

  CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C(=O)O)OC)O

• Std. InChi

  InChI=1S/C25H40N7O20P3S/c1-25(2,18(35)21(36)28-5-4-13(33)27-6-7-56-24(39)17(47-3)23(37)38)9-49-55(45,46)52-54(43,44)48-8-12-16(51-53(40,41)42)15(34)22(50-12)32-11-31-14-19(26)29-10-30-20(14)32/h10-12,15-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,15-,16-,17?,18+,22-/m1/s1

• Std. InChIKey

  VYAKOZMPHMJZBU-BJWYLULISA-N

• Cite this record

  CSID:25941962, http://www.chemspider.com/Chemical-Structure.25941962.html (accessed 22:07, Apr 26, 2024)