| Properties | Image |
|---|
| MNX_ID | MNXM33174 |
 |
| reference | lipidmapsM:LMST03020394 |
| formula | C29H44O3 |
| global charge | 0 |
| mol weight | 440.668 |
| InChIKey | LMGSSQQCVWGJKN-AOFGDPGASA-N |
| InChI | InChI=1S/C29H44O3/c1-7-21-15-23(11-10-22-16-24(30)17-27(31)20(22)3)26-13-12-25(29(26,6)18-21)19(2)9-8-14-28(4,5)32/h1,10-11,19,21,24-27,30-32H,3,8-9,12-18H2,2,4-6H3/b22-10-,23-11+/t19-,21+,24-,25-,26+,27+,29-/m1/s1 |
| SMILES | C#C[C@H]1C/C(=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)[C@@H]2CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]2(C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H44O3/c1-7-21-15-23(11-10-22-16-24(30)17-27(31)20(22)3)26-13-12-25(29(26,6)18-21)19(2)9-8-14-28(4,5)32/h1,10-11,19,21,24-27,30-32H,3,8-9,12-18H2,2,4-6H3/b22-10-,23-11+/t19-,21+,24-,25-,26+,27+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]#[C:7][C@H:21]1[CH2:15]/[C:23](=[CH:11]\[CH:10]=[C:22]2\[CH2:16][C@@H:24]([OH:30])[CH2:17][C@H:27]([OH:31])[C:20]2=[CH2:3])[C@@H:26]2[CH2:13][CH2:12][C@H:25]([C@H:19]([CH3:2])[CH2:9][CH2:8][CH2:14][C:28]([CH3:4])([CH3:5])[OH:32])[C@@:29]2([CH3:6])[CH2:18]1 |
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