| Properties | Image |
|---|
| MNX_ID | MNXM38439 |
 |
| reference | lipidmapsM:LMST03020087 |
| formula | C27H38F6O4 |
| global charge | 0 |
| mol weight | 540.585 |
| InChIKey | PZXHPUCNJAGWRH-YVUUEZKQSA-N |
| InChI | InChI=1S/C27H38F6O4/c1-16(5-3-12-25(35,26(28,29)30)27(31,32)33)21-9-10-22-17(6-4-11-24(21,22)2)13-23-20-14-19(34)8-7-18(20)15-36-37-23/h13,16,19,21-23,34-35H,3-12,14-15H2,1-2H3/b17-13+/t16-,19+,21-,22+,23?,24-/m1/s1 |
| SMILES | C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C3OOCC4=C3C[C@@H](O)CC4)CCC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H38F6O4/c1-16(5-3-12-25(35,26(28,29)30)27(31,32)33)21-9-10-22-17(6-4-11-24(21,22)2)13-23-20-14-19(34)8-7-18(20)15-36-37-23/h13,16,19,21-23,34-35H,3-12,14-15H2,1-2H3/b17-13+/t16-,19+,21-,22+,23?,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]([CH2:5][CH2:3][CH2:12][C:25]([C:26]([F:28])([F:29])[F:30])([C:27]([F:31])([F:32])[F:33])[OH:35])[C@H:21]1[CH2:9][CH2:10][C@H:22]2/[C:17](=[CH:13]/[CH:23]3[C:20]4=[C:18]([CH2:7][CH2:8][C@H:19]([OH:34])[CH2:14]4)[CH2:15][O:36][O:37]3)[CH2:6][CH2:4][CH2:11][C@:24]12[CH3:2] |
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