| Properties | Image |
|---|
| MNX_ID | MNXM1131750 |
 |
| reference | lipidmapsM:LMSP05010122 |
| formula | C50H97NO13 |
| global charge | 0 |
| mol weight | 920.32 |
| InChIKey | IQXDFYMZLXOKGL-PUWJUFCLSA-N |
| InChI | InChI=1S/C50H97NO13/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-42(55)51-38(39(54)33-31-29-27-25-23-14-12-10-8-6-4-2)37-61-49-47(60)45(58)48(41(36-53)63-49)64-50-46(59)44(57)43(56)40(35-52)62-50/h38-41,43-50,52-54,56-60H,3-37H2,1-2H3,(H,51,55)/t38-,39+,40+,41+,43-,44-,45+,46+,47+,48+,49+,50-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H97NO13/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-42(55)51-38(39(54)33-31-29-27-25-23-14-12-10-8-6-4-2)37-61-49-47(60)45(58)48(41(36-53)63-49)64-50-46(59)44(57)43(56)40(35-52)62-50/h38-41,43-50,52-54,56-60H,3-37H2,1-2H3,(H,51,55)/t38-,39+,40+,41+,43-,44-,45+,46+,47+,48+,49+,50-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:42](=[N:51][C@@H:38]([CH2:37][O:61][C@H:49]1[C@H:47]([OH:60])[C@@H:45]([OH:58])[C@H:48]([O:64][C@H:50]2[C@H:46]([OH:59])[C@@H:44]([OH:57])[C@@H:43]([OH:56])[C@@H:40]([CH2:35][OH:52])[O:62]2)[C@@H:41]([CH2:36][OH:53])[O:63]1)[C@@H:39]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:54])[OH:55] |
|