17-(4-hydroxyphenyl)heptadecanoyl-5'-AMP

Properties Image MNX_ID MNXM162732 reference chebi:91234 formula C33H49N5O9P global charge -1 mol weight 690.755 InChIKey SNPFUIGRBWOCGB-FTBITJBVSA-M InChI InChI=1S/C33H50N5O9P/c34-31-28-32(36-22-35-31)38(23-37-28)33-30(42)29(41)26(46-33)21-45-48(43,44)47-27(40)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-24-17-19-25(39)20-18-24/h17-20,22-23,26,29-30,33,39,41-42H,1-16,21H2,(H,43,44)(H2,34,35,36)/p-1/t26-,29-,30-,33-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)CCCCCCCCCCCCCCCCC2=CC=C(O)C=C2)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C33H50N5O9P/c34-31-28-32(36-22-35-31)38(23-37-28)33-30(42)29(41)26(46-33)21-45-48(43,44)47-27(40)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-24-17-19-25(39)20-18-24/h17-20,22-23,26,29-30,33,39,41-42H,1-16,21H2,(H,43,44)(H2,34,35,36)/t26-,29-,30-,33-/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][C:27](=[O:40])[O:47][P:48]([OH:43])(=[O:44])[O:45][CH2:21][C@@H:26]1[C@@H:29]([OH:41])[C@@H:30]([OH:42])[C@H:33]([N:38]2[CH:23]=[N:37][C:28]3=[C:31]([NH2:34])[N:35]=[CH:22][N:36]=[C:32]32)[O:46]1)[CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][C:24]1=[CH:18][CH:20]=[C:25]([OH:39])[CH:19]=[CH:17]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0