| Properties | Image |
|---|
| MNX_ID | MNXM28573 |
 |
| reference | glycosphingo:IMILEHQKRMPPSS_MOZMGHPESA_N |
| formula | C86H157NO38 |
| global charge | 0 |
| mol weight | 1813.171 |
| InChIKey | IMILEHQKRMPPSS-MOZMGHPESA-N |
| InChI | InChI=1S/C86H157NO38/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(96)87-49(50(95)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)48-112-80-68(106)65(103)74(56(46-93)118-80)120-82-69(107)66(104)75(57(47-94)119-82)121-83-70(108)77(61(99)52(42-89)114-83)123-85-72(110)79(63(101)54(44-91)116-85)125-86-73(111)78(62(100)55(45-92)117-86)124-84-71(109)76(60(98)53(43-90)115-84)122-81-67(105)64(102)59(97)51(41-88)113-81/h37,39,49-57,59-86,88-95,97-111H,3-36,38,40-48H2,1-2H3,(H,87,96)/b39-37+/t49-,50+,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-,83+,84+,85+,86+/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]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/C86H157NO38/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(96)87-49(50(95)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)48-112-80-68(106)65(103)74(56(46-93)118-80)120-82-69(107)66(104)75(57(47-94)119-82)121-83-70(108)77(61(99)52(42-89)114-83)123-85-72(110)79(63(101)54(44-91)116-85)125-86-73(111)78(62(100)55(45-92)117-86)124-84-71(109)76(60(98)53(43-90)115-84)122-81-67(105)64(102)59(97)51(41-88)113-81/h37,39,49-57,59-86,88-95,97-111H,3-36,38,40-48H2,1-2H3,(H,87,96)/b39-37+/t49-,50+,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-,83+,84+,85+,86+/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:58](=[N:87][C@@H:49]([CH2:48][O:112][C@H:80]1[C@H:68]([OH:106])[C@@H:65]([OH:103])[C@H:74]([O:120][C@H:82]2[C@H:69]([OH:107])[C@@H:66]([OH:104])[C@@H:75]([O:121][C@@H:83]3[C@H:70]([OH:108])[C@@H:77]([O:123][C@@H:85]4[C@H:72]([OH:110])[C@@H:79]([O:125][C@@H:86]5[C@H:73]([OH:111])[C@@H:78]([O:124][C@@H:84]6[C@H:71]([OH:109])[C@@H:76]([O:122][C@@H:81]7[C@H:67]([OH:105])[C@@H:64]([OH:102])[C@@H:59]([OH:97])[C@@H:51]([CH2:41][OH:88])[O:113]7)[C@@H:60]([OH:98])[C@@H:53]([CH2:43][OH:90])[O:115]6)[C@@H:62]([OH:100])[C@@H:55]([CH2:45][OH:92])[O:117]5)[C@@H:63]([OH:101])[C@@H:54]([CH2:44][OH:91])[O:116]4)[C@@H:61]([OH:99])[C@@H:52]([CH2:42][OH:89])[O:114]3)[C@@H:57]([CH2:47][OH:94])[O:119]2)[C@@H:56]([CH2:46][OH:93])[O:118]1)[C@@H:50](/[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:95])[OH:96] |
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