| Properties | Image |
|---|
| MNX_ID | MNXM185241 |
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| reference | slm:000432730 |
| formula | C39H67O16P2 |
| global charge | -3 |
| mol weight | 853.897 |
| InChIKey | OHZNZLYGXZKEDN-HWVLVMMJSA-K |
| InChI | InChI=1S/C39H70O16P2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-27-32(40)51-29-31(53-33(41)28-26-23-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h10-11,13-14,16-17,31,34-39,42-45H,3-9,12,15,18-30H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b11-10-,14-13-,17-16-/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H70O16P2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-27-32(40)51-29-31(53-33(41)28-26-23-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h10-11,13-14,16-17,31,34-39,42-45H,3-9,12,15,18-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b11-10-,14-13-,17-16-/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][C:32](=[O:40])[O:51][CH2:29][C@H:31]([CH2:30][O:52][P:57]([OH:49])(=[O:50])[O:55][C@@H:39]1[C@H:36]([OH:44])[C@H:34]([OH:42])[C@@H:35]([OH:43])[C@H:38]([O:54][P:56]([OH:46])([OH:47])=[O:48])[C@H:37]1[OH:45])[O:53][C:33]([CH2:28][CH2:26][CH2:23][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41] |
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