| Properties | Image |
|---|
| MNX_ID | MNXM344788 |
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| reference | slm:000469392 |
| formula | C32H58O19P3 |
| global charge | -5 |
| mol weight | 839.719 |
| InChIKey | ZKOHQDAAWLTSSP-LQFKUWHBSA-I |
| InChI | InChI=1S/C32H63O19P3/c1-4-5-6-7-9-13-16-19-25(33)46-21-24(48-26(34)20-17-14-11-8-10-12-15-18-23(2)3)22-47-54(44,45)51-30-27(35)28(36)31(49-52(38,39)40)32(29(30)37)50-53(41,42)43/h23-24,27-32,35-37H,4-22H2,1-3H3,(H,44,45)(H2,38,39,40)(H2,41,42,43)/p-5/t24-,27-,28+,29+,30-,31-,32-/m1/s1 |
| SMILES | CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C32H63O19P3/c1-4-5-6-7-9-13-16-19-25(33)46-21-24(48-26(34)20-17-14-11-8-10-12-15-18-23(2)3)22-47-54(44,45)51-30-27(35)28(36)31(49-52(38,39)40)32(29(30)37)50-53(41,42)43/h23-24,27-32,35-37H,4-22H2,1-3H3,(H,44,45)(H2,38,39,40)(H2,41,42,43)/t24-,27-,28+,29+,30-,31-,32-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:9][CH2:13][CH2:16][CH2:19][C:25](=[O:33])[O:46][CH2:21][C@H:24]([CH2:22][O:47][P:54]([OH:44])(=[O:45])[O:51][C@@H:30]1[C@H:27]([OH:35])[C@H:28]([OH:36])[C@@H:31]([O:49][P:52]([OH:38])([OH:39])=[O:40])[C@H:32]([O:50][P:53]([OH:41])([OH:42])=[O:43])[C@H:29]1[OH:37])[O:48][C:26]([CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:10][CH2:12][CH2:15][CH2:18][CH:23]([CH3:2])[CH3:3])=[O:34] |
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