| Properties | Image |
|---|
| MNX_ID | MNXM342985 |
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| reference | slm:000437296 |
| formula | C25H43O16P2 |
| global charge | -3 |
| mol weight | 661.551 |
| InChIKey | MREJLAYPAPWFDL-AODNNCDJSA-K |
| InChI | InChI=1S/C25H46O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(27)39-18(15-37-17(2)26)16-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h6-7,18,20-25,28-31H,3-5,8-16H2,1-2H3,(H,35,36)(H2,32,33,34)/p-3/b7-6-/t18-,20-,21-,22-,23-,24+,25-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H46O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(27)39-18(15-37-17(2)26)16-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h6-7,18,20-25,28-31H,3-5,8-16H2,1-2H3,(H,35,36)(H2,32,33,34)/b7-6-/t18-,20-,21-,22-,23-,24+,25-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:19](=[O:27])[O:39][C@H:18]([CH2:15][O:37][C:17]([CH3:2])=[O:26])[CH2:16][O:38][P:43]([OH:35])(=[O:36])[O:41][C@@H:25]1[C@H:22]([OH:30])[C@H:20]([OH:28])[C@@H:21]([OH:29])[C@H:24]([O:40][P:42]([OH:32])([OH:33])=[O:34])[C@H:23]1[OH:31] |
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