| Properties | Image |
|---|
| MNX_ID | MNXM343385 |
 |
| reference | slm:000450114 |
| formula | C35H58O19P3 |
| global charge | -5 |
| mol weight | 875.752 |
| InChIKey | WGFVJKCRBYPZBE-GGKHCMQTSA-I |
| InChI | InChI=1S/C35H63O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)51-27(25-49-28(36)23-4-2)26-50-57(47,48)54-35-31(39)33(52-55(41,42)43)30(38)34(32(35)40)53-56(44,45)46/h8-9,11-12,14-15,27,30-35,38-40H,3-7,10,13,16-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/p-5/b9-8-,12-11-,15-14-/t27-,30-,31-,32-,33-,34+,35-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H63O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)51-27(25-49-28(36)23-4-2)26-50-57(47,48)54-35-31(39)33(52-55(41,42)43)30(38)34(32(35)40)53-56(44,45)46/h8-9,11-12,14-15,27,30-35,38-40H,3-7,10,13,16-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/b9-8-,12-11-,15-14-/t27-,30-,31-,32-,33-,34+,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][C:29](=[O:37])[O:51][C@H:27]([CH2:25][O:49][C:28]([CH2:23][CH2:4][CH3:2])=[O:36])[CH2:26][O:50][P:57]([OH:47])(=[O:48])[O:54][C@@H:35]1[C@H:31]([OH:39])[C@H:33]([O:52][P:55]([OH:41])([OH:42])=[O:43])[C@@H:30]([OH:38])[C@H:34]([O:53][P:56]([OH:44])([OH:45])=[O:46])[C@H:32]1[OH:40] |
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