| Properties | Image |
|---|
| MNX_ID | MNXM31279 |
 |
| reference | lipidmapsM:LMST03020200 |
| formula | C27H43FO |
| global charge | 0 |
| mol weight | 402.638 |
| InChIKey | GBYUWSOLZWQQPT-IJIBJWTQSA-N |
| InChI | InChI=1S/C27H43FO/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10-11,18-20,24-26,29H,5-9,12-17H2,1-4H3/b21-10+,22-11+,23-18-/t20-,24+,25-,26+,27-/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC\C3=C\F)CCC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H43FO/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10-11,18-20,24-26,29H,5-9,12-17H2,1-4H3/b21-10+,22-11+,23-18-/t20-,24+,25-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[CH2:7][CH2:5][CH2:8][C@@H:20]([CH3:3])[C@H:25]1[CH2:14][CH2:15][C@H:26]2/[C:21](=[CH:10]/[CH:11]=[C:22]3\[CH2:17][C@@H:24]([OH:29])[CH2:13][CH2:12]\[C:23]3=[CH:18]\[F:28])[CH2:9][CH2:6][CH2:16][C@:27]12[CH3:4] |
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