| Properties | Image |
|---|
| MNX_ID | MNXM25790 |
 |
| reference | lipidmapsM:LMFA13010003 |
| formula | C40H78O8 |
| global charge | 0 |
| mol weight | 687.056 |
| InChIKey | PMKXORXRGNPVFB-QTDGBWOYSA-N |
| InChI | InChI=1S/C40H78O8/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-34(33-46-40-39(45)38(44)37(43)35(32-41)48-40)47-36(42)31-29-27-25-23-20-14-12-10-8-6-4-2/h34-35,37-41,43-45H,3-33H2,1-2H3/t34?,35-,37-,38+,39-,40+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H78O8/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-34(33-46-40-39(45)38(44)37(43)35(32-41)48-40)47-36(42)31-29-27-25-23-20-14-12-10-8-6-4-2/h34-35,37-41,43-45H,3-33H2,1-2H3/t34?,35-,37-,38+,39-,40+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH:34]([CH2:33][O:46][C@@H:40]1[C@H:39]([OH:45])[C@@H:38]([OH:44])[C@H:37]([OH:43])[C@@H:35]([CH2:32][OH:41])[O:48]1)[O:47][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
|