| Properties | Image |
|---|
| MNX_ID | MNXM324400 |
 |
| reference | slm:000449617 |
| formula | C27H44O19P3 |
| global charge | -5 |
| mol weight | 765.552 |
| InChIKey | YILNPDXYIJJHJS-JBMVFXLYSA-I |
| InChI | InChI=1S/C27H49O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)41-17-20(43-19(2)28)18-42-49(39,40)46-27-23(31)25(44-47(33,34)35)22(30)26(24(27)32)45-48(36,37)38/h5-6,8-9,20,22-27,30-32H,3-4,7,10-18H2,1-2H3,(H,39,40)(H2,33,34,35)(H2,36,37,38)/p-5/b6-5-,9-8-/t20-,22-,23-,24-,25-,26+,27-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C27H49O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)41-17-20(43-19(2)28)18-42-49(39,40)46-27-23(31)25(44-47(33,34)35)22(30)26(24(27)32)45-48(36,37)38/h5-6,8-9,20,22-27,30-32H,3-4,7,10-18H2,1-2H3,(H,39,40)(H2,33,34,35)(H2,36,37,38)/b6-5-,9-8-/t20-,22-,23-,24-,25-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:21](=[O:29])[O:41][CH2:17][C@H:20]([CH2:18][O:42][P:49]([OH:39])(=[O:40])[O:46][C@@H:27]1[C@H:23]([OH:31])[C@H:25]([O:44][P:47]([OH:33])([OH:34])=[O:35])[C@@H:22]([OH:30])[C@H:26]([O:45][P:48]([OH:36])([OH:37])=[O:38])[C@H:24]1[OH:32])[O:43][C:19]([CH3:2])=[O:28] |
|