| Properties | Image |
|---|
| MNX_ID | MNXM344431 |
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| reference | slm:000443787 |
| formula | C28H49O22P4 |
| global charge | -7 |
| mol weight | 861.574 |
| InChIKey | GSAOWIAHSPIKKG-KSLWDQKISA-G |
| InChI | InChI=1S/C28H56O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22(30)46-20(18-44-21(29)16-4-2)19-45-54(42,43)50-25-23(31)26(47-51(33,34)35)28(49-53(39,40)41)27(24(25)32)48-52(36,37)38/h20,23-28,31-32H,3-19H2,1-2H3,(H,42,43)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41)/p-7/t20-,23+,24+,25-,26+,27-,28-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H56O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22(30)46-20(18-44-21(29)16-4-2)19-45-54(42,43)50-25-23(31)26(47-51(33,34)35)28(49-53(39,40)41)27(24(25)32)48-52(36,37)38/h20,23-28,31-32H,3-19H2,1-2H3,(H,42,43)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41)/t20-,23+,24+,25-,26+,27-,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:17][C:22](=[O:30])[O:46][C@H:20]([CH2:18][O:44][C:21]([CH2:16][CH2:4][CH3:2])=[O:29])[CH2:19][O:45][P:54]([OH:42])(=[O:43])[O:50][C@@H:25]1[C@H:23]([OH:31])[C@H:26]([O:47][P:51]([OH:33])([OH:34])=[O:35])[C@@H:28]([O:49][P:53]([OH:39])([OH:40])=[O:41])[C@H:27]([O:48][P:52]([OH:36])([OH:37])=[O:38])[C@H:24]1[OH:32] |
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