| Properties | Image |
|---|
| MNX_ID | MNXM25082 |
 |
| reference | glycosphingo:FMDAHMLMCWEDFX_IZDVQILVSA_N |
| formula | C90H161N3O38 |
| global charge | 0 |
| mol weight | 1893.261 |
| InChIKey | FMDAHMLMCWEDFX-IZDVQILVSA-N |
| InChI | InChI=1S/C90H161N3O38/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-62(104)93-53(54(103)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)50-118-86-74(114)72(112)80(61(49-100)125-86)128-90-76(116)82(67(107)57(45-96)122-90)130-85-63(91-51(3)101)69(109)78(59(47-98)123-85)126-88-75(115)81(66(106)56(44-95)120-88)129-84-64(92-52(4)102)70(110)79(60(48-99)124-84)127-89-77(117)83(68(108)58(46-97)121-89)131-87-73(113)71(111)65(105)55(43-94)119-87/h19-20,39,41,53-61,63-90,94-100,103,105-117H,5-18,21-38,40,42-50H2,1-4H3,(H,91,101)(H,92,102)(H,93,104)/b20-19-,41-39+/t53-,54+,55+,56+,57+,58+,59+,60+,61+,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-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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]3O[C@H](CO)[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]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](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C90H161N3O38/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-62(104)93-53(54(103)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)50-118-86-74(114)72(112)80(61(49-100)125-86)128-90-76(116)82(67(107)57(45-96)122-90)130-85-63(91-51(3)101)69(109)78(59(47-98)123-85)126-88-75(115)81(66(106)56(44-95)120-88)129-84-64(92-52(4)102)70(110)79(60(48-99)124-84)127-89-77(117)83(68(108)58(46-97)121-89)131-87-73(113)71(111)65(105)55(43-94)119-87/h19-20,39,41,53-61,63-90,94-100,103,105-117H,5-18,21-38,40,42-50H2,1-4H3,(H,91,101)(H,92,102)(H,93,104)/b20-19-,41-39+/t53-,54+,55+,56+,57+,58+,59+,60+,61+,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-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:62](=[N:93][C@@H:53]([CH2:50][O:118][C@H:86]1[C@H:74]([OH:114])[C@@H:72]([OH:112])[C@H:80]([O:128][C@H:90]2[C@H:76]([OH:116])[C@@H:82]([O:130][C@H:85]3[C@H:63]([N:91]=[C:51]([CH3:3])[OH:101])[C@@H:69]([OH:109])[C@H:78]([O:126][C@H:88]4[C@H:75]([OH:115])[C@@H:81]([O:129][C@H:84]5[C@H:64]([N:92]=[C:52]([CH3:4])[OH:102])[C@@H:70]([OH:110])[C@H:79]([O:127][C@H:89]6[C@H:77]([OH:117])[C@@H:83]([O:131][C@@H:87]7[C@H:73]([OH:113])[C@@H:71]([OH:111])[C@@H:65]([OH:105])[C@@H:55]([CH2:43][OH:94])[O:119]7)[C@@H:68]([OH:108])[C@@H:58]([CH2:46][OH:97])[O:121]6)[C@@H:60]([CH2:48][OH:99])[O:124]5)[C@@H:66]([OH:106])[C@@H:56]([CH2:44][OH:95])[O:120]4)[C@@H:59]([CH2:47][OH:98])[O:123]3)[C@@H:67]([OH:107])[C@@H:57]([CH2:45][OH:96])[O:122]2)[C@@H:61]([CH2:49][OH:100])[O:125]1)[C@@H:54](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:103])[OH:104] |
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