| Properties | Image |
|---|
| MNX_ID | MNXM213727 |
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| reference | slm:000433568 |
| formula | C40H73O16P2 |
| global charge | -3 |
| mol weight | 871.956 |
| InChIKey | NXTXEYRDHSVXHA-FXJBRPRPSA-K |
| InChI | InChI=1S/C40H76O16P2/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-34(42)54-32(29-52-33(41)27-24-21-18-16-13-14-17-20-23-26-31(2)3)30-53-58(50,51)56-40-37(45)35(43)36(44)39(38(40)46)55-57(47,48)49/h12,15,31-32,35-40,43-46H,4-11,13-14,16-30H2,1-3H3,(H,50,51)(H2,47,48,49)/p-3/b15-12-/t32-,35-,36-,37-,38-,39+,40-/m1/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-34(42)54-32(29-52-33(41)27-24-21-18-16-13-14-17-20-23-26-31(2)3)30-53-58(50,51)56-40-37(45)35(43)36(44)39(38(40)46)55-57(47,48)49/h12,15,31-32,35-40,43-46H,4-11,13-14,16-30H2,1-3H3,(H,50,51)(H2,47,48,49)/b15-12-/t32-,35-,36-,37-,38-,39+,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:15]\[CH2:19][CH2:22][CH2:25][CH2:28][C:34](=[O:42])[O:54][C@H:32]([CH2:29][O:52][C:33]([CH2:27][CH2:24][CH2:21][CH2:18][CH2:16][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH:31]([CH3:2])[CH3:3])=[O:41])[CH2:30][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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