| Properties | Image |
|---|
| MNX_ID | MNXM106892 |
 |
| reference | chebi:70951 |
| formula | C49H99N2O7P |
| global charge | 0 |
| mol weight | 859.312 |
| InChIKey | HTFJKCHLCKQTKC-IVNVYFSQSA-N |
| InChI | InChI=1S/C49H99N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-48(53)49(54)50-46(44-58-59(55,56)57-43-42-51(4,5)6)47(52)40-37-34-31-29-26-27-30-33-36-39-45(2)3/h37,40,45-48,52-53H,7-36,38-39,41-44H2,1-6H3,(H-,50,54,55,56)/b40-37+/t46-,47+,48?/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H99N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-48(53)49(54)50-46(44-58-59(55,56)57-43-42-51(4,5)6)47(52)40-37-34-31-29-26-27-30-33-36-39-45(2)3/h37,40,45-48,52-53H,7-36,38-39,41-44H2,1-6H3,(H-,50,54,55,56)/b40-37+/t46-,47+,48?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:28][CH2:32][CH2:35][CH2:38][CH2:41][CH:48]([C:49](=[N:50][C@@H:46]([CH2:44][O:58][P:59]([O-:55])(=[O:56])[O:57][CH2:43][CH2:42][N+:51]([CH3:4])([CH3:5])[CH3:6])[C@@H:47](/[CH:40]=[CH:37]/[CH2:34][CH2:31][CH2:29][CH2:26][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][CH:45]([CH3:2])[CH3:3])[OH:52])[OH:54])[OH:53] |
|