| Properties | Image |
|---|
| MNX_ID | MNXM102492 |
 |
| reference | lipidmapsM:LMSL03001272 |
| formula | C44H82O13 |
| global charge | 0 |
| mol weight | 819.127 |
| InChIKey | MLBQQWHGQOOQRB-MWHATQTKSA-N |
| InChI | InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(45)53-31-33-37(47)39(49)41(51)43(55-33)57-44-42(52)40(50)38(48)34(56-44)32-54-36(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-44,47-52H,3-32H2,1-2H3/t33-,34-,37-,38-,39+,40+,41-,42-,43-,44-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(45)53-31-33-37(47)39(49)41(51)43(55-33)57-44-42(52)40(50)38(48)34(56-44)32-54-36(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-44,47-52H,3-32H2,1-2H3/t33-,34-,37-,38-,39+,40+,41-,42-,43-,44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:35](=[O:45])[O:53][CH2:31][C@@H:33]1[C@@H:37]([OH:47])[C@H:39]([OH:49])[C@@H:41]([OH:51])[C@@H:43]([O:57][C@@H:44]2[C@H:42]([OH:52])[C@@H:40]([OH:50])[C@H:38]([OH:48])[C@@H:34]([CH2:32][O:54][C:36]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46])[O:56]2)[O:55]1 |
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