| Properties | Image |
|---|
| MNX_ID | MNXM345560 |
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| reference | slm:000437450 |
| formula | C35H61O16P2 |
| global charge | -3 |
| mol weight | 799.805 |
| InChIKey | QKXRDQODDWDJND-UVTAFFEPSA-K |
| InChI | InChI=1S/C35H64O16P2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(37)49-27(25-47-28(36)23-21-19-17-10-8-6-4-2)26-48-53(45,46)51-35-32(40)30(38)31(39)34(33(35)41)50-52(42,43)44/h7,9,12-13,27,30-35,38-41H,3-6,8,10-11,14-26H2,1-2H3,(H,45,46)(H2,42,43,44)/p-3/b9-7-,13-12-/t27-,30-,31-,32-,33-,34+,35-/m1/s1 |
| SMILES | CCC/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](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H64O16P2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(37)49-27(25-47-28(36)23-21-19-17-10-8-6-4-2)26-48-53(45,46)51-35-32(40)30(38)31(39)34(33(35)41)50-52(42,43)44/h7,9,12-13,27,30-35,38-41H,3-6,8,10-11,14-26H2,1-2H3,(H,45,46)(H2,42,43,44)/b9-7-,13-12-/t27-,30-,31-,32-,33-,34+,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][C:29](=[O:37])[O:49][C@H:27]([CH2:25][O:47][C:28]([CH2:23][CH2:21][CH2:19][CH2:17][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:36])[CH2:26][O:48][P:53]([OH:45])(=[O:46])[O:51][C@@H:35]1[C@H:32]([OH:40])[C@H:30]([OH:38])[C@@H:31]([OH:39])[C@H:34]([O:50][P:52]([OH:42])([OH:43])=[O:44])[C@H:33]1[OH:41] |
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