| Properties | Image |
|---|
| MNX_ID | MNXM342799 |
 |
| reference | slm:000430886 |
| formula | C33H52O19P3 |
| global charge | -5 |
| mol weight | 845.682 |
| InChIKey | SUKSILNNYISWSL-HSPSZQBXSA-I |
| InChI | InChI=1S/C33H57O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)49-26(23-47-25(2)34)24-48-55(45,46)52-31-28(36)29(37)32(50-53(39,40)41)33(30(31)38)51-54(42,43)44/h7-8,10-11,13-14,16-17,26,28-33,36-38H,3-6,9,12,15,18-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/p-5/b8-7-,11-10-,14-13-,17-16-/t26-,28-,29-,30+,31+,32+,33+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(C)=O)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/C33H57O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)49-26(23-47-25(2)34)24-48-55(45,46)52-31-28(36)29(37)32(50-53(39,40)41)33(30(31)38)51-54(42,43)44/h7-8,10-11,13-14,16-17,26,28-33,36-38H,3-6,9,12,15,18-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/b8-7-,11-10-,14-13-,17-16-/t26-,28-,29-,30+,31+,32+,33+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:27](=[O:35])[O:49][C@H:26]([CH2:23][O:47][C:25]([CH3:2])=[O:34])[CH2:24][O:48][P:55]([OH:45])(=[O:46])[O:52][C@H:31]1[C@H:28]([OH:36])[C@@H:29]([OH:37])[C@H:32]([O:50][P:53]([OH:39])([OH:40])=[O:41])[C@@H:33]([O:51][P:54]([OH:42])([OH:43])=[O:44])[C@H:30]1[OH:38] |
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