19-(4-hydroxyphenyl)nonadecanoyl-5'-AMP

Properties Image MNX_ID MNXM162735 reference chebi:91235 formula C35H53N5O9P global charge -1 mol weight 718.809 InChIKey XXXMYDPTLCPNMO-CQFMLMEWSA-M InChI InChI=1S/C35H54N5O9P/c36-33-30-34(38-24-37-33)40(25-39-30)35-32(44)31(43)28(48-35)23-47-50(45,46)49-29(42)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-26-19-21-27(41)22-20-26/h19-22,24-25,28,31-32,35,41,43-44H,1-18,23H2,(H,45,46)(H2,36,37,38)/p-1/t28-,31-,32-,35-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)CCCCCCCCCCCCCCCCCCC2=CC=C(O)C=C2)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C35H54N5O9P/c36-33-30-34(38-24-37-33)40(25-39-30)35-32(44)31(43)28(48-35)23-47-50(45,46)49-29(42)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-26-19-21-27(41)22-20-26/h19-22,24-25,28,31-32,35,41,43-44H,1-18,23H2,(H,45,46)(H2,36,37,38)/t28-,31-,32-,35-/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][C:29](=[O:42])[O:49][P:50]([OH:45])(=[O:46])[O:47][CH2:23][C@@H:28]1[C@@H:31]([OH:43])[C@@H:32]([OH:44])[C@H:35]([N:40]2[CH:25]=[N:39][C:30]3=[C:33]([NH2:36])[N:37]=[CH:24][N:38]=[C:34]32)[O:48]1)[CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][C:26]1=[CH:20][CH:22]=[C:27]([OH:41])[CH:21]=[CH:19]1

Parent-child relations graph

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