octadecanoyl-AMP

Properties Image MNX_ID MNXM169132 reference chebi:142984 formula C28H47N5O8P global charge -1 mol weight 612.685 InChIKey SWOLRYFPKWBFHG-VGSCBBJJSA-M InChI InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/p-1/t21-,24-,25-,28-/m1/s1 SMILES CCCCCCCCCCCCCCCCCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:22](=[O:34])[O:41][P:42]([OH:37])(=[O:38])[O:39][CH2:18][C@@H:21]1[C@@H:24]([OH:35])[C@@H:25]([OH:36])[C@H:28]([N:33]2[CH:20]=[N:32][C:23]3=[C:26]([NH2:29])[N:30]=[CH:19][N:31]=[C:27]32)[O:40]1

Parent-child relations graph

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