| Properties | Image |
|---|
| MNX_ID | MNXM27166 |
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| reference | glycosphingo:GIJXTOHLIRVOMH_KARUKQTFSA_N |
| formula | C82H150N2O33 |
| global charge | 0 |
| mol weight | 1692.083 |
| InChIKey | GIJXTOHLIRVOMH-KARUKQTFSA-N |
| InChI | InChI=1S/C82H150N2O33/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-58(93)84-50(51(92)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)48-106-78-68(102)65(99)72(56(46-89)111-78)113-80-69(103)66(100)73(57(47-90)112-80)114-81-70(104)75(62(96)54(44-87)109-81)116-77-59(83-49(3)91)74(61(95)53(43-86)107-77)115-82-71(105)76(63(97)55(45-88)110-82)117-79-67(101)64(98)60(94)52(42-85)108-79/h38,40,50-57,59-82,85-90,92,94-105H,4-37,39,41-48H2,1-3H3,(H,83,91)(H,84,93)/b40-38+/t50-,51+,52+,53+,54+,55+,56+,57+,59+,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74+,75-,76-,77-,78+,79+,80-,81+,82-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H150N2O33/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-58(93)84-50(51(92)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)48-106-78-68(102)65(99)72(56(46-89)111-78)113-80-69(103)66(100)73(57(47-90)112-80)114-81-70(104)75(62(96)54(44-87)109-81)116-77-59(83-49(3)91)74(61(95)53(43-86)107-77)115-82-71(105)76(63(97)55(45-88)110-82)117-79-67(101)64(98)60(94)52(42-85)108-79/h38,40,50-57,59-82,85-90,92,94-105H,4-37,39,41-48H2,1-3H3,(H,83,91)(H,84,93)/b40-38+/t50-,51+,52+,53+,54+,55+,56+,57+,59+,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74+,75-,76-,77-,78+,79+,80-,81+,82-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:58](=[N:84][C@@H:50]([CH2:48][O:106][C@H:78]1[C@H:68]([OH:102])[C@@H:65]([OH:99])[C@H:72]([O:113][C@H:80]2[C@H:69]([OH:103])[C@@H:66]([OH:100])[C@@H:73]([O:114][C@@H:81]3[C@H:70]([OH:104])[C@@H:75]([O:116][C@H:77]4[C@H:59]([N:83]=[C:49]([CH3:3])[OH:91])[C@@H:74]([O:115][C@H:82]5[C@H:71]([OH:105])[C@@H:76]([O:117][C@@H:79]6[C@H:67]([OH:101])[C@@H:64]([OH:98])[C@@H:60]([OH:94])[C@@H:52]([CH2:42][OH:85])[O:108]6)[C@@H:63]([OH:97])[C@@H:55]([CH2:45][OH:88])[O:110]5)[C@@H:61]([OH:95])[C@@H:53]([CH2:43][OH:86])[O:107]4)[C@@H:62]([OH:96])[C@@H:54]([CH2:44][OH:87])[O:109]3)[C@@H:57]([CH2:47][OH:90])[O:112]2)[C@@H:56]([CH2:46][OH:89])[O:111]1)[C@@H:51](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:92])[OH:93] |
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