| Properties | Image |
|---|
| MNX_ID | MNXM343540 |
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| reference | slm:000456525 |
| formula | C28H51O16P2 |
| global charge | -3 |
| mol weight | 705.648 |
| InChIKey | KRINJQHKCIEETJ-RTKZUSNTSA-K |
| InChI | InChI=1S/C28H54O16P2/c1-4-14-21(29)40-17-20(42-22(30)16-13-11-9-7-5-6-8-10-12-15-19(2)3)18-41-46(38,39)44-28-25(33)23(31)24(32)27(26(28)34)43-45(35,36)37/h19-20,23-28,31-34H,4-18H2,1-3H3,(H,38,39)(H2,35,36,37)/p-3/t20-,23+,24+,25-,26-,27-,28+/m1/s1 |
| SMILES | CCCC(=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)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H54O16P2/c1-4-14-21(29)40-17-20(42-22(30)16-13-11-9-7-5-6-8-10-12-15-19(2)3)18-41-46(38,39)44-28-25(33)23(31)24(32)27(26(28)34)43-45(35,36)37/h19-20,23-28,31-34H,4-18H2,1-3H3,(H,38,39)(H2,35,36,37)/t20-,23+,24+,25-,26-,27-,28+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:14][C:21](=[O:29])[O:40][CH2:17][C@H:20]([CH2:18][O:41][P:46]([OH:38])(=[O:39])[O:44][C@H:28]1[C@H:25]([OH:33])[C@@H:23]([OH:31])[C@H:24]([OH:32])[C@@H:27]([O:43][P:45]([OH:35])([OH:36])=[O:37])[C@H:26]1[OH:34])[O:42][C:22]([CH2:16][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:15][CH:19]([CH3:2])[CH3:3])=[O:30] |
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