| Properties | Image |
|---|
| MNX_ID | MNXM192774 |
 |
| reference | slm:000426409 |
| formula | C35H62O19P3 |
| global charge | -5 |
| mol weight | 879.784 |
| InChIKey | XESMGSYKKSVLGL-PDOCWTSBSA-I |
| InChI | InChI=1S/C35H67O19P3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-21-23-28(36)49-25-27(51-29(37)24-22-19-8-6-4-2)26-50-57(47,48)54-33-30(38)31(39)34(52-55(41,42)43)35(32(33)40)53-56(44,45)46/h11-12,27,30-35,38-40H,3-10,13-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/p-5/b12-11+/t27-,30-,31-,32+,33+,34+,35+/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)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C35H67O19P3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-21-23-28(36)49-25-27(51-29(37)24-22-19-8-6-4-2)26-50-57(47,48)54-33-30(38)31(39)34(52-55(41,42)43)35(32(33)40)53-56(44,45)46/h11-12,27,30-35,38-40H,3-10,13-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/b12-11+/t27-,30-,31-,32+,33+,34+,35+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10]/[CH:11]=[CH:12]/[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][C:28](=[O:36])[O:49][CH2:25][C@H:27]([CH2:26][O:50][P:57]([OH:47])(=[O:48])[O:54][C@H:33]1[C@H:30]([OH:38])[C@@H:31]([OH:39])[C@H:34]([O:52][P:55]([OH:41])([OH:42])=[O:43])[C@@H:35]([O:53][P:56]([OH:44])([OH:45])=[O:46])[C@H:32]1[OH:40])[O:51][C:29]([CH2:24][CH2:22][CH2:19][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37] |
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