| Properties | Image |
|---|
| MNX_ID | MNXM352618 |
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| reference | slm:000469624 |
| formula | C34H62O19P3 |
| global charge | -5 |
| mol weight | 867.773 |
| InChIKey | NOMWUYLJUCFIBY-SEGQGBFJSA-I |
| InChI | InChI=1S/C34H67O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-28(36)50-26(24-48-27(35)22-20-18-16-14-12-10-8-6-4-2)25-49-56(46,47)53-32-29(37)30(38)33(51-54(40,41)42)34(31(32)39)52-55(43,44)45/h26,29-34,37-39H,3-25H2,1-2H3,(H,46,47)(H2,40,41,42)(H2,43,44,45)/p-5/t26-,29-,30+,31+,32-,33-,34-/m1/s1 |
| SMILES | CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C34H67O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-28(36)50-26(24-48-27(35)22-20-18-16-14-12-10-8-6-4-2)25-49-56(46,47)53-32-29(37)30(38)33(51-54(40,41)42)34(31(32)39)52-55(43,44)45/h26,29-34,37-39H,3-25H2,1-2H3,(H,46,47)(H2,40,41,42)(H2,43,44,45)/t26-,29-,30+,31+,32-,33-,34-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][C:28](=[O:36])[O:50][C@H:26]([CH2:24][O:48][C:27]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35])[CH2:25][O:49][P:56]([OH:46])(=[O:47])[O:53][C@@H:32]1[C@H:29]([OH:37])[C@H:30]([OH:38])[C@@H:33]([O:51][P:54]([OH:40])([OH:41])=[O:42])[C@H:34]([O:52][P:55]([OH:43])([OH:44])=[O:45])[C@H:31]1[OH:39] |
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