| Properties | Image |
|---|
| MNX_ID | MNXM151722 |
 |
| reference | lipidmapsM:LMSL03001275 |
| formula | C61H116O17S |
| global charge | 0 |
| mol weight | 1153.649 |
| InChIKey | LAHRSXPYDZCIMX-NBLRXRKMSA-N |
| InChI | InChI=1S/C61H116O17S/c1-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-49(64)47(6)40-45(4)38-44(3)39-46(5)41-48(7)59(69)76-56-54(67)51(43-63)74-61(77-60-57(78-79(70,71)72)55(68)53(66)50(42-62)73-60)58(56)75-52(65)37-35-33-31-29-27-24-21-19-17-15-13-11-9-2/h44-51,53-58,60-64,66-68H,8-43H2,1-7H3,(H,70,71,72)/t44-,45+,46-,47+,48-,49?,50+,51+,53+,54+,55-,56-,57+,58+,60+,61+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H116O17S/c1-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-49(64)47(6)40-45(4)38-44(3)39-46(5)41-48(7)59(69)76-56-54(67)51(43-63)74-61(77-60-57(78-79(70,71)72)55(68)53(66)50(42-62)73-60)58(56)75-52(65)37-35-33-31-29-27-24-21-19-17-15-13-11-9-2/h44-51,53-58,60-64,66-68H,8-43H2,1-7H3,(H,70,71,72)/t44-,45+,46-,47+,48-,49?,50+,51+,53+,54+,55-,56-,57+,58+,60+,61+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH:49]([C@H:47]([CH3:6])[CH2:40][C@H:45]([CH3:4])[CH2:38][C@H:44]([CH3:3])[CH2:39][C@H:46]([CH3:5])[CH2:41][C@H:48]([CH3:7])[C:59](=[O:69])[O:76][C@H:56]1[C@H:54]([OH:67])[C@@H:51]([CH2:43][OH:63])[O:74][C@H:61]([O:77][C@@H:60]2[C@H:57]([O:78][S:79]([OH:70])(=[O:71])=[O:72])[C@@H:55]([OH:68])[C@H:53]([OH:66])[C@@H:50]([CH2:42][OH:62])[O:73]2)[C@@H:58]1[O:75][C:52]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])=[O:65])[OH:64] |
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