| Properties | Image |
|---|
| MNX_ID | MNXM345027 |
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| reference | slm:000463009 |
| formula | C36H67O16P2 |
| global charge | -3 |
| mol weight | 817.864 |
| InChIKey | OKRISELSTNQTEP-PUCCQAIPSA-K |
| InChI | InChI=1S/C36H70O16P2/c1-4-5-6-7-13-17-20-23-29(37)48-25-28(50-30(38)24-21-18-15-12-10-8-9-11-14-16-19-22-27(2)3)26-49-54(46,47)52-36-33(41)31(39)35(32(40)34(36)42)51-53(43,44)45/h27-28,31-36,39-42H,4-26H2,1-3H3,(H,46,47)(H2,43,44,45)/p-3/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](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C36H70O16P2/c1-4-5-6-7-13-17-20-23-29(37)48-25-28(50-30(38)24-21-18-15-12-10-8-9-11-14-16-19-22-27(2)3)26-49-54(46,47)52-36-33(41)31(39)35(32(40)34(36)42)51-53(43,44)45/h27-28,31-36,39-42H,4-26H2,1-3H3,(H,46,47)(H2,43,44,45)/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:48][CH2:25][C@H:28]([CH2:26][O:49][P:54]([OH:46])(=[O:47])[O:52][C@H:36]1[C@H:33]([OH:41])[C@@H:31]([OH:39])[C@H:35]([O:51][P:53]([OH:43])([OH:44])=[O:45])[C@@H:32]([OH:40])[C@H:34]1[OH:42])[O:50][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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