| Properties | Image |
|---|
| MNX_ID | MNXM193109 |
 |
| reference | slm:000426415 |
| formula | C40H72O19P3 |
| global charge | -5 |
| mol weight | 949.919 |
| InChIKey | YWVATIZROYJJQG-VXFIDHDRSA-I |
| InChI | InChI=1S/C40H77O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-33(41)54-30-32(56-34(42)29-27-25-23-20-14-12-10-8-6-4-2)31-55-62(52,53)59-38-35(43)36(44)39(57-60(46,47)48)40(37(38)45)58-61(49,50)51/h13,15,32,35-40,43-45H,3-12,14,16-31H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/p-5/b15-13+/t32-,35-,36-,37+,38+,39+,40+/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H77O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-33(41)54-30-32(56-34(42)29-27-25-23-20-14-12-10-8-6-4-2)31-55-62(52,53)59-38-35(43)36(44)39(57-60(46,47)48)40(37(38)45)58-61(49,50)51/h13,15,32,35-40,43-45H,3-12,14,16-31H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b15-13+/t32-,35-,36-,37+,38+,39+,40+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:54][CH2:30][C@H:32]([CH2:31][O:55][P:62]([OH:52])(=[O:53])[O:59][C@H:38]1[C@H:35]([OH:43])[C@@H:36]([OH:44])[C@H:39]([O:57][P:60]([OH:46])([OH:47])=[O:48])[C@@H:40]([O:58][P:61]([OH:49])([OH:50])=[O:51])[C@H:37]1[OH:45])[O:56][C:34]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
|