| Properties | Image |
|---|
| MNX_ID | MNXM337976 |
 |
| reference | slm:000437147 |
| formula | C40H73O16P2 |
| global charge | -3 |
| mol weight | 871.956 |
| InChIKey | ZZNOWJXZAFQNGW-YLJPSCTASA-K |
| InChI | InChI=1S/C40H76O16P2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(42)54-32(30-52-33(41)28-26-24-22-20-18-14-12-10-8-6-4-2)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)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H76O16P2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(42)54-32(30-52-33(41)28-26-24-22-20-18-14-12-10-8-6-4-2)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][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:34](=[O:42])[O:54][C@H:32]([CH2:30][O:52][C:33]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:41])[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] |
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