| Properties | Image |
|---|
| MNX_ID | MNXM345026 |
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| reference | slm:000469407 |
| formula | C36H66O19P3 |
| global charge | -5 |
| mol weight | 895.827 |
| InChIKey | FZSMUWFVVXCJDD-WNTPKBOGSA-I |
| InChI | InChI=1S/C36H71O19P3/c1-4-5-6-7-13-17-20-23-29(37)50-25-28(52-30(38)24-21-18-15-12-10-8-9-11-14-16-19-22-27(2)3)26-51-58(48,49)55-34-31(39)32(40)35(53-56(42,43)44)36(33(34)41)54-57(45,46)47/h27-28,31-36,39-41H,4-26H2,1-3H3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/p-5/t28-,31-,32+,33+,34-,35-,36-/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)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C36H71O19P3/c1-4-5-6-7-13-17-20-23-29(37)50-25-28(52-30(38)24-21-18-15-12-10-8-9-11-14-16-19-22-27(2)3)26-51-58(48,49)55-34-31(39)32(40)35(53-56(42,43)44)36(33(34)41)54-57(45,46)47/h27-28,31-36,39-41H,4-26H2,1-3H3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/t28-,31-,32+,33+,34-,35-,36-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:13][CH2:17][CH2:20][CH2:23][C:29](=[O:37])[O:50][CH2:25][C@H:28]([CH2:26][O:51][P:58]([OH:48])(=[O:49])[O:55][C@@H:34]1[C@H:31]([OH:39])[C@H:32]([OH:40])[C@@H:35]([O:53][P:56]([OH:42])([OH:43])=[O:44])[C@H:36]([O:54][P:57]([OH:45])([OH:46])=[O:47])[C@H:33]1[OH:41])[O:52][C:30]([CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH2:14][CH2:16][CH2:19][CH2:22][CH:27]([CH3:2])[CH3:3])=[O:38] |
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