| Properties | Image |
|---|
| MNX_ID | MNXM362271 |
 |
| reference | slm:000457043 |
| formula | C40H73O16P2 |
| global charge | -3 |
| mol weight | 871.956 |
| InChIKey | XCVTVWKFRMTHPR-QKFYWKBESA-K |
| InChI | InChI=1S/C40H76O16P2/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-33(41)52-30-32(54-34(42)29-27-25-23-21-18-14-12-10-8-6-4-2)31-53-58(50,51)56-40-37(45)35(43)36(44)39(38(40)46)55-57(47,48)49/h10,12,32,35-40,43-46H,3-9,11,13-31H2,1-2H3,(H,50,51)(H2,47,48,49)/p-3/b12-10-/t32-,35+,36+,37-,38-,39-,40+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C40H76O16P2/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-33(41)52-30-32(54-34(42)29-27-25-23-21-18-14-12-10-8-6-4-2)31-53-58(50,51)56-40-37(45)35(43)36(44)39(38(40)46)55-57(47,48)49/h10,12,32,35-40,43-46H,3-9,11,13-31H2,1-2H3,(H,50,51)(H2,47,48,49)/b12-10-/t32-,35+,36+,37-,38-,39-,40+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:52][CH2:30][C@H:32]([CH2:31][O:53][P:58]([OH:50])(=[O:51])[O:56][C@H:40]1[C@H:37]([OH:45])[C@@H:35]([OH:43])[C@H:36]([OH:44])[C@@H:39]([O:55][P:57]([OH:47])([OH:48])=[O:49])[C@H:38]1[OH:46])[O:54][C:34]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
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