| Properties | Image |
|---|
| MNX_ID | MNXM214521 |
 |
| reference | slm:000465571 |
| formula | C40H72O19P3 |
| global charge | -5 |
| mol weight | 949.919 |
| InChIKey | XLXCOAYHSHRFMQ-GRTGIWQESA-I |
| InChI | InChI=1S/C40H77O19P3/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-34(42)56-32(29-54-33(41)27-24-21-18-16-13-14-17-20-23-26-31(2)3)30-55-62(52,53)59-38-35(43)36(44)39(57-60(46,47)48)40(37(38)45)58-61(49,50)51/h9-10,31-32,35-40,43-45H,4-8,11-30H2,1-3H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/p-5/b10-9-/t32-,35-,36+,37+,38-,39-,40-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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 |
MNX internals
| InChI (mnx) | InChI=1/C40H77O19P3/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-34(42)56-32(29-54-33(41)27-24-21-18-16-13-14-17-20-23-26-31(2)3)30-55-62(52,53)59-38-35(43)36(44)39(57-60(46,47)48)40(37(38)45)58-61(49,50)51/h9-10,31-32,35-40,43-45H,4-8,11-30H2,1-3H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b10-9-/t32-,35-,36+,37+,38-,39-,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:15][CH2:19][CH2:22][CH2:25][CH2:28][C:34](=[O:42])[O:56][C@H:32]([CH2:29][O:54][C:33]([CH2:27][CH2:24][CH2:21][CH2:18][CH2:16][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH:31]([CH3:2])[CH3:3])=[O:41])[CH2:30][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] |
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