| Properties | Image |
|---|
| MNX_ID | MNXM33912 |
 |
| reference | lipidmapsM:LMST03020053 |
| formula | C26H42O3S |
| global charge | 0 |
| mol weight | 434.686 |
| InChIKey | NJVDMIXTJXQHKY-ZDQKKZTESA-N |
| InChI | InChI=1S/C26H42O3S/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)SCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C26H42O3S/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:17]1/[C:20](=[CH:9]\[CH:8]=[C:19]2/[CH2:7][CH2:6][CH2:12][C@:26]3([CH3:5])[C@@H:22]([C@H:18]([CH3:2])[S:30][CH2:14][CH2:13][C:25]([CH3:3])([CH3:4])[OH:29])[CH2:10][CH2:11][C@@H:23]23)[CH2:15][C@@H:21]([OH:27])[CH2:16][C@@H:24]1[OH:28] |
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