| Properties | Image |
|---|
| MNX_ID | MNXM345542 |
 |
| reference | slm:000450244 |
| formula | C37H62O19P3 |
| global charge | -5 |
| mol weight | 903.806 |
| InChIKey | RLRHMUOHOSCVKE-AYCXGOCQSA-I |
| InChI | InChI=1S/C37H67O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)53-29(27-51-30(38)25-23-21-19-10-8-6-4-2)28-52-59(49,50)56-37-33(41)35(54-57(43,44)45)32(40)36(34(37)42)55-58(46,47)48/h5,7,11-12,14-15,29,32-37,40-42H,3-4,6,8-10,13,16-28H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/p-5/b7-5-,12-11-,15-14-/t29-,32-,33-,34-,35-,36+,37-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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/C37H67O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)53-29(27-51-30(38)25-23-21-19-10-8-6-4-2)28-52-59(49,50)56-37-33(41)35(54-57(43,44)45)32(40)36(34(37)42)55-58(46,47)48/h5,7,11-12,14-15,29,32-37,40-42H,3-4,6,8-10,13,16-28H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b7-5-,12-11-,15-14-/t29-,32-,33-,34-,35-,36+,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][C:31](=[O:39])[O:53][C@H:29]([CH2:27][O:51][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:52][P:59]([OH:49])(=[O:50])[O:56][C@@H:37]1[C@H:33]([OH:41])[C@H:35]([O:54][P:57]([OH:43])([OH:44])=[O:45])[C@@H:32]([OH:40])[C@H:36]([O:55][P:58]([OH:46])([OH:47])=[O:48])[C@H:34]1[OH:42] |
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