| Properties | Image |
|---|
| MNX_ID | MNXM345405 |
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| reference | slm:000463033 |
| formula | C37H67O16P2 |
| global charge | -3 |
| mol weight | 829.875 |
| InChIKey | JIRLVSVSJOYOFI-ITVGZLGGSA-K |
| InChI | InChI=1S/C37H70O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)51-29(27-49-30(38)25-23-21-19-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)36(33(41)35(37)43)52-54(44,45)46/h17-18,29,32-37,40-43H,3-16,19-28H2,1-2H3,(H,47,48)(H2,44,45,46)/p-3/b18-17-/t29-,32-,33+,34-,35-,36+,37+/m1/s1 |
| SMILES | CCCCCCCCCCC/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H70O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)51-29(27-49-30(38)25-23-21-19-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)36(33(41)35(37)43)52-54(44,45)46/h17-18,29,32-37,40-43H,3-16,19-28H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t29-,32-,33+,34-,35-,36+,37+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]\[CH2:20][CH2:22][CH2:24][CH2:26][C:31](=[O:39])[O:51][C@H:29]([CH2:27][O:49][C:30]([CH2:25][CH2:23][CH2:21][CH2:19][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:38])[CH2:28][O:50][P:55]([OH:47])(=[O:48])[O:53][C@H:37]1[C@H:34]([OH:42])[C@@H:32]([OH:40])[C@H:36]([O:52][P:54]([OH:44])([OH:45])=[O:46])[C@@H:33]([OH:41])[C@H:35]1[OH:43] |
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