| Properties | Image |
|---|
| MNX_ID | MNXM216863 |
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| reference | slm:000465669 |
| formula | C40H64O19P3 |
| global charge | -5 |
| mol weight | 941.855 |
| InChIKey | SOMBZQKZPRBSJK-MNJGPLNKSA-I |
| InChI | InChI=1S/C40H69O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34(42)54-30-32(56-33(41)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/h5-6,8-9,11-12,14-15,17-18,32,35-40,43-45H,3-4,7,10,13,16,19-31H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/p-5/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,35-,36+,37+,38-,39-,40-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C40H69O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34(42)54-30-32(56-33(41)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/h5-6,8-9,11-12,14-15,17-18,32,35-40,43-45H,3-4,7,10,13,16,19-31H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,35-,36+,37+,38-,39-,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:34](=[O:42])[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:33]([CH2:4][CH3:2])=[O:41] |
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