| Properties | Image |
|---|
| MNX_ID | MNXM41597 |
 |
| reference | lipidmapsM:LMST04030003 |
| formula | C27H48O5 |
| global charge | 0 |
| mol weight | 452.676 |
| InChIKey | WLAXYIXLDQTVJE-JGXBBTQFSA-N |
| InChI | InChI=1S/C27H48O5/c1-16(6-5-11-25(2,32)15-28)18-7-8-19-22-20(10-13-26(18,19)3)27(4)12-9-17(29)14-21(27)23(30)24(22)31/h16-24,28-32H,5-15H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25?,26-,27-/m1/s1 |
| SMILES | C[C@H](CCCC(C)(O)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H48O5/c1-16(6-5-11-25(2,32)15-28)18-7-8-19-22-20(10-13-26(18,19)3)27(4)12-9-17(29)14-21(27)23(30)24(22)31/h16-24,28-32H,5-15H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25?,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]([CH2:6][CH2:5][CH2:11][C:25]([CH3:2])([CH2:15][OH:28])[OH:32])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@H:22]3[C@H:20]([CH2:10][CH2:13][C@:26]12[CH3:3])[C@@:27]1([CH3:4])[CH2:12][CH2:9][C@@H:17]([OH:29])[CH2:14][C@H:21]1[C@H:23]([OH:30])[C@H:24]3[OH:31] |
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