| Properties | Image |
|---|
| MNX_ID | MNXM1132102 |
 |
| reference | lipidmapsM:LMST05020063 |
| formula | C29H48O6S |
| global charge | 0 |
| mol weight | 524.764 |
| InChIKey | MBEVKYVYIQZRDZ-CRANKKPJSA-N |
| InChI | InChI=1S/C29H48O6S/c1-17(2)19(4)18(3)16-28(7,35-36(31,32)33)29-25(34-29)15-24-22-9-8-20-14-21(30)10-12-26(20,5)23(22)11-13-27(24,29)6/h8,17-19,21-25,30H,9-16H2,1-7H3,(H,31,32,33)/t18-,19-,21+,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| SMILES | CC(C)[C@@H](C)[C@H](C)C[C@](C)(OS(=O)(=O)O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C29H48O6S/c1-17(2)19(4)18(3)16-28(7,35-36(31,32)33)29-25(34-29)15-24-22-9-8-20-14-21(30)10-12-26(20,5)23(22)11-13-27(24,29)6/h8,17-19,21-25,30H,9-16H2,1-7H3,(H,31,32,33)/t18-,19-,21+,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[C@@H:19]([CH3:4])[C@H:18]([CH3:3])[CH2:16][C@@:28]([CH3:7])([C@@:29]12[C@@H:25]([CH2:15][C@H:24]3[C@@H:22]4[CH2:9][CH:8]=[C:20]5[CH2:14][C@@H:21]([OH:30])[CH2:10][CH2:12][C@:26]5([CH3:5])[C@H:23]4[CH2:11][CH2:13][C@@:27]31[CH3:6])[O:34]2)[O:35][S:36]([OH:31])(=[O:32])=[O:33] |
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