| Properties | Image |
|---|
| MNX_ID | MNXM343469 |
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| reference | slm:000450120 |
| formula | C33H56O19P3 |
| global charge | -5 |
| mol weight | 849.714 |
| InChIKey | VELOWOHIQITINN-GHLNMVOMSA-I |
| InChI | InChI=1S/C33H61O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(35)49-25(23-47-26(34)21-4-2)24-48-55(45,46)52-33-29(37)31(50-53(39,40)41)28(36)32(30(33)38)51-54(42,43)44/h8-9,11-12,25,28-33,36-38H,3-7,10,13-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/p-5/b9-8-,12-11-/t25-,28-,29-,30-,31-,32+,33-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C33H61O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(35)49-25(23-47-26(34)21-4-2)24-48-55(45,46)52-33-29(37)31(50-53(39,40)41)28(36)32(30(33)38)51-54(42,43)44/h8-9,11-12,25,28-33,36-38H,3-7,10,13-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/b9-8-,12-11-/t25-,28-,29-,30-,31-,32+,33-/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][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][C:27](=[O:35])[O:49][C@H:25]([CH2:23][O:47][C:26]([CH2:21][CH2:4][CH3:2])=[O:34])[CH2:24][O:48][P:55]([OH:45])(=[O:46])[O:52][C@@H:33]1[C@H:29]([OH:37])[C@H:31]([O:50][P:53]([OH:39])([OH:40])=[O:41])[C@@H:28]([OH:36])[C@H:32]([O:51][P:54]([OH:42])([OH:43])=[O:44])[C@H:30]1[OH:38] |
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