3-Indolepropionyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM163669 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C32H45N8O17P3S charge 0 mass 938.18362 reference sabiorkM:18782 InChIKey IXFKVXFSQBQASQ-GRBGHKMPSA-N InChI InChI=1S/C32H45N8O17P3S/c1-32(2,27(44)30(45)35-10-9-22(41)34-11-12-61-23(42)8-7-18-13-36-20-6-4-3-5-19(18)20)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)40-17-39-24-28(33)37-16-38-29(24)40/h3-6,13,16-17,21,25-27,31,36,43-44H,7-12,14-15H2,1-2H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/t21-,25-,26-,27+,31-/m1/s1 SMILES CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCc1c[nH]c2ccccc12

Parent-child relations graph

Deprecated MNXref IDs graph