| Properties | Image |
|---|
| MNX_ID | MNXM345810 |
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| reference | slm:000443866 |
| formula | C34H61O22P4 |
| global charge | -7 |
| mol weight | 945.736 |
| InChIKey | KGBBIHBLMHWUMY-UXTUKFIKSA-G |
| InChI | InChI=1S/C34H68O22P4/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(36)52-26(24-50-27(35)22-20-18-16-10-8-6-4-2)25-51-60(48,49)56-31-29(37)32(53-57(39,40)41)34(55-59(45,46)47)33(30(31)38)54-58(42,43)44/h26,29-34,37-38H,3-25H2,1-2H3,(H,48,49)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)/p-7/t26-,29+,30+,31-,32+,33-,34-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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/C34H68O22P4/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(36)52-26(24-50-27(35)22-20-18-16-10-8-6-4-2)25-51-60(48,49)56-31-29(37)32(53-57(39,40)41)34(55-59(45,46)47)33(30(31)38)54-58(42,43)44/h26,29-34,37-38H,3-25H2,1-2H3,(H,48,49)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)/t26-,29+,30+,31-,32+,33-,34-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][C:28](=[O:36])[O:52][C@H:26]([CH2:24][O:50][C:27]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35])[CH2:25][O:51][P:60]([OH:48])(=[O:49])[O:56][C@@H:31]1[C@H:29]([OH:37])[C@H:32]([O:53][P:57]([OH:39])([OH:40])=[O:41])[C@@H:34]([O:55][P:59]([OH:45])([OH:46])=[O:47])[C@H:33]([O:54][P:58]([OH:42])([OH:43])=[O:44])[C@H:30]1[OH:38] |
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