| Properties | Image |
|---|
| MNX_ID | MNXM23726 |
 |
| reference | lipidmapsM:LMGL05030002 |
| formula | C55H108O16S |
| global charge | 0 |
| mol weight | 1057.52 |
| InChIKey | GXLZATMPVSBFFD-WNTRNVGHSA-N |
| InChI | InChI=1S/C55H108O16S/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-65-34-45(66-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4)35-67-55-53(51(60)48(57)46(33-56)69-55)71-54-52(61)50(59)49(58)47(70-54)36-68-72(62,63)64/h37-61H,11-36H2,1-10H3,(H,62,63,64)/t39-,40-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50+,51+,52+,53-,54-,55+/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C55H108O16S/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-65-34-45(66-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4)35-67-55-53(51(60)48(57)46(33-56)69-55)71-54-52(61)50(59)49(58)47(70-54)36-68-72(62,63)64/h37-61H,11-36H2,1-10H3,(H,62,63,64)/t39-,40-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50+,51+,52+,53-,54-,55+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:37]([CH3:2])[CH2:17][CH2:11][CH2:19][C@@H:39]([CH3:5])[CH2:21][CH2:13][CH2:23][C@@H:41]([CH3:7])[CH2:25][CH2:15][CH2:27][C@@H:43]([CH3:9])[CH2:29][CH2:31][O:65][CH2:34][C@@H:45]([CH2:35][O:67][C@@H:55]1[C@H:53]([O:71][C@@H:54]2[C@@H:52]([OH:61])[C@@H:50]([OH:59])[C@H:49]([OH:58])[C@@H:47]([CH2:36][O:68][S:72]([OH:62])(=[O:63])=[O:64])[O:70]2)[C@@H:51]([OH:60])[C@H:48]([OH:57])[C@@H:46]([CH2:33][OH:56])[O:69]1)[O:66][CH2:32][CH2:30][C@H:44]([CH3:10])[CH2:28][CH2:16][CH2:26][C@H:42]([CH3:8])[CH2:24][CH2:14][CH2:22][C@H:40]([CH3:6])[CH2:20][CH2:12][CH2:18][CH:38]([CH3:3])[CH3:4] |
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