| Properties | Image |
|---|
| MNX_ID | MNXM331150 |
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| reference | slm:000456178 |
| formula | C35H63O16P2 |
| global charge | -3 |
| mol weight | 801.821 |
| InChIKey | SUJQOYZPHSUMBE-QJNCAQRISA-K |
| InChI | InChI=1S/C35H66O16P2/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(36)47-25-27(49-29(37)24-22-20-17-10-8-6-4-2)26-48-53(45,46)51-35-32(40)30(38)31(39)34(33(35)41)50-52(42,43)44/h12-13,27,30-35,38-41H,3-11,14-26H2,1-2H3,(H,45,46)(H2,42,43,44)/p-3/b13-12-/t27-,30+,31+,32-,33-,34-,35+/m1/s1 |
| SMILES | CCCCCC/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](O)[C@H]1O)OC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C35H66O16P2/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(36)47-25-27(49-29(37)24-22-20-17-10-8-6-4-2)26-48-53(45,46)51-35-32(40)30(38)31(39)34(33(35)41)50-52(42,43)44/h12-13,27,30-35,38-41H,3-11,14-26H2,1-2H3,(H,45,46)(H2,42,43,44)/b13-12-/t27-,30+,31+,32-,33-,34-,35+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][C:28](=[O:36])[O:47][CH2:25][C@H:27]([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])[O:49][C:29]([CH2:24][CH2:22][CH2:20][CH2:17][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37] |
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