| Properties | Image |
|---|
| MNX_ID | MNXM343902 |
 |
| reference | slm:000430955 |
| formula | C35H54O19P3 |
| global charge | -5 |
| mol weight | 871.72 |
| InChIKey | ATUCXBNBTOYXIS-BEKCUAIKSA-I |
| InChI | InChI=1S/C35H59O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)51-27(25-49-28(36)23-4-2)26-50-57(47,48)54-33-30(38)31(39)34(52-55(41,42)43)35(32(33)40)53-56(44,45)46/h8-9,11-12,14-15,17-18,20-21,27,30-35,38-40H,3-7,10,13,16,19,22-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/p-5/b9-8-,12-11-,15-14-,18-17-,21-20-/t27-,30-,31-,32+,33+,34+,35+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C35H59O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)51-27(25-49-28(36)23-4-2)26-50-57(47,48)54-33-30(38)31(39)34(52-55(41,42)43)35(32(33)40)53-56(44,45)46/h8-9,11-12,14-15,17-18,20-21,27,30-35,38-40H,3-7,10,13,16,19,22-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/b9-8-,12-11-,15-14-,18-17-,21-20-/t27-,30-,31-,32+,33+,34+,35+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:24][C:29](=[O:37])[O:51][C@H:27]([CH2:25][O:49][C:28]([CH2:23][CH2:4][CH3:2])=[O:36])[CH2:26][O:50][P:57]([OH:47])(=[O:48])[O:54][C@H:33]1[C@H:30]([OH:38])[C@@H:31]([OH:39])[C@H:34]([O:52][P:55]([OH:41])([OH:42])=[O:43])[C@@H:35]([O:53][P:56]([OH:44])([OH:45])=[O:46])[C@H:32]1[OH:40] |
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