| Properties | Image |
|---|
| MNX_ID | MNXM29426 |
 |
| reference | glycosphingo:WFRKVNNSEUZWBK_DFMZVGSMSA_N |
| formula | C92H167NO43 |
| global charge | 0 |
| mol weight | 1975.312 |
| InChIKey | WFRKVNNSEUZWBK-DFMZVGSMSA-N |
| InChI | InChI=1S/C92H167NO43/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(103)93-50(51(102)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)49-121-85-71(114)68(111)78(58(47-100)128-85)130-87-72(115)69(112)79(59(48-101)129-87)131-88-73(116)81(63(106)53(42-95)123-88)133-90-75(118)83(65(108)55(44-97)125-90)135-92-77(120)84(66(109)57(46-99)127-92)136-91-76(119)82(64(107)56(45-98)126-91)134-89-74(117)80(62(105)54(43-96)124-89)132-86-70(113)67(110)61(104)52(41-94)122-86/h37,39,50-59,61-92,94-102,104-120H,3-36,38,40-49H2,1-2H3,(H,93,103)/b39-37+/t50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85+,86+,87-,88+,89+,90+,91+,92+/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]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C92H167NO43/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(103)93-50(51(102)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)49-121-85-71(114)68(111)78(58(47-100)128-85)130-87-72(115)69(112)79(59(48-101)129-87)131-88-73(116)81(63(106)53(42-95)123-88)133-90-75(118)83(65(108)55(44-97)125-90)135-92-77(120)84(66(109)57(46-99)127-92)136-91-76(119)82(64(107)56(45-98)126-91)134-89-74(117)80(62(105)54(43-96)124-89)132-86-70(113)67(110)61(104)52(41-94)122-86/h37,39,50-59,61-92,94-102,104-120H,3-36,38,40-49H2,1-2H3,(H,93,103)/b39-37+/t50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85+,86+,87-,88+,89+,90+,91+,92+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:60](=[N:93][C@@H:50]([CH2:49][O:121][C@H:85]1[C@H:71]([OH:114])[C@@H:68]([OH:111])[C@H:78]([O:130][C@H:87]2[C@H:72]([OH:115])[C@@H:69]([OH:112])[C@@H:79]([O:131][C@@H:88]3[C@H:73]([OH:116])[C@@H:81]([O:133][C@@H:90]4[C@H:75]([OH:118])[C@@H:83]([O:135][C@@H:92]5[C@H:77]([OH:120])[C@@H:84]([O:136][C@@H:91]6[C@H:76]([OH:119])[C@@H:82]([O:134][C@@H:89]7[C@H:74]([OH:117])[C@@H:80]([O:132][C@@H:86]8[C@H:70]([OH:113])[C@@H:67]([OH:110])[C@@H:61]([OH:104])[C@@H:52]([CH2:41][OH:94])[O:122]8)[C@@H:62]([OH:105])[C@@H:54]([CH2:43][OH:96])[O:124]7)[C@@H:64]([OH:107])[C@@H:56]([CH2:45][OH:98])[O:126]6)[C@@H:66]([OH:109])[C@@H:57]([CH2:46][OH:99])[O:127]5)[C@@H:65]([OH:108])[C@@H:55]([CH2:44][OH:97])[O:125]4)[C@@H:63]([OH:106])[C@@H:53]([CH2:42][OH:95])[O:123]3)[C@@H:59]([CH2:48][OH:101])[O:129]2)[C@@H:58]([CH2:47][OH:100])[O:128]1)[C@@H:51](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:102])[OH:103] |
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