| Properties | Image |
|---|
| MNX_ID | MNXM350247 |
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| reference | slm:000450368 |
| formula | C38H70O19P3 |
| global charge | -5 |
| mol weight | 923.881 |
| InChIKey | QCLCJCCISZFBMG-QTVFEYMESA-I |
| InChI | InChI=1S/C38H75O19P3/c1-4-5-6-7-8-12-16-19-22-25-31(39)52-27-30(54-32(40)26-23-20-17-14-11-9-10-13-15-18-21-24-29(2)3)28-53-60(50,51)57-38-34(42)36(55-58(44,45)46)33(41)37(35(38)43)56-59(47,48)49/h29-30,33-38,41-43H,4-28H2,1-3H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/p-5/t30-,33-,34-,35-,36-,37+,38-/m1/s1 |
| SMILES | CCCCCCCCCCCC(=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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C38H75O19P3/c1-4-5-6-7-8-12-16-19-22-25-31(39)52-27-30(54-32(40)26-23-20-17-14-11-9-10-13-15-18-21-24-29(2)3)28-53-60(50,51)57-38-34(42)36(55-58(44,45)46)33(41)37(35(38)43)56-59(47,48)49/h29-30,33-38,41-43H,4-28H2,1-3H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/t30-,33-,34-,35-,36-,37+,38-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:12][CH2:16][CH2:19][CH2:22][CH2:25][C:31](=[O:39])[O:52][CH2:27][C@H:30]([CH2:28][O:53][P:60]([OH:50])(=[O:51])[O:57][C@@H:38]1[C@H:34]([OH:42])[C@H:36]([O:55][P:58]([OH:44])([OH:45])=[O:46])[C@@H:33]([OH:41])[C@H:37]([O:56][P:59]([OH:47])([OH:48])=[O:49])[C@H:35]1[OH:43])[O:54][C:32]([CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:9][CH2:10][CH2:13][CH2:15][CH2:18][CH2:21][CH2:24][CH:29]([CH3:2])[CH3:3])=[O:40] |
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