| Properties | Image |
|---|
| MNX_ID | MNXM31260 |
 |
| reference | lipidmapsM:LMST03020295 |
| formula | C27H44O4 |
| global charge | 0 |
| mol weight | 432.645 |
| InChIKey | LUMQIGNPUDCMLN-DZTSVEAESA-N |
| InChI | InChI=1S/C27H44O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h9-10,18,22-25,28-31H,2,5-8,11-17H2,1,3-4H3/b20-9+,21-10+/t18-,22-,23-,24+,25+,26-,27-/m1/s1 |
| SMILES | C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@@](C)(O)CO)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H44O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h9-10,18,22-25,28-31H,2,5-8,11-17H2,1,3-4H3/b20-9+,21-10+/t18-,22-,23-,24+,25+,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([CH2:7][CH2:5][CH2:13][C@:26]([CH3:3])([CH2:17][OH:28])[OH:31])[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:20](=[CH:9]/[CH:10]=[C:21]3\[CH2:15][C@@H:22]([OH:29])[CH2:16][C@H:25]([OH:30])[C:19]3=[CH2:2])[CH2:8][CH2:6][CH2:14][C@:27]12[CH3:4] |
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