| Properties | Image |
|---|
| MNX_ID | MNXM27389 |
 |
| reference | glycosphingo:HHRDUGJSAHKSSN_LFKKYZAPSA_N |
| formula | C92H164N4O38 |
| global charge | 0 |
| mol weight | 1934.314 |
| InChIKey | HHRDUGJSAHKSSN-LFKKYZAPSA-N |
| InChI | InChI=1S/C92H164N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(108)96-55(56(107)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-121-89-76(117)75(116)82(63(50-103)128-89)131-92-79(120)85(71(112)60(47-100)125-92)134-88-67(95-54(5)106)74(115)81(62(49-102)127-88)130-91-78(119)84(70(111)59(46-99)124-91)133-87-66(94-53(4)105)73(114)80(61(48-101)126-87)129-90-77(118)83(69(110)58(45-98)123-90)132-86-65(93-52(3)104)72(113)68(109)57(44-97)122-86/h20-21,40,42,55-63,65-92,97-103,107,109-120H,6-19,22-39,41,43-51H2,1-5H3,(H,93,104)(H,94,105)(H,95,106)(H,96,108)/b21-20-,42-40+/t55-,56+,57+,58+,59+,60+,61+,62+,63+,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 | 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]7NC(C)=O)[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/C92H164N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(108)96-55(56(107)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-121-89-76(117)75(116)82(63(50-103)128-89)131-92-79(120)85(71(112)60(47-100)125-92)134-88-67(95-54(5)106)74(115)81(62(49-102)127-88)130-91-78(119)84(70(111)59(46-99)124-91)133-87-66(94-53(4)105)73(114)80(61(48-101)126-87)129-90-77(118)83(69(110)58(45-98)123-90)132-86-65(93-52(3)104)72(113)68(109)57(44-97)122-86/h20-21,40,42,55-63,65-92,97-103,107,109-120H,6-19,22-39,41,43-51H2,1-5H3,(H,93,104)(H,94,105)(H,95,106)(H,96,108)/b21-20-,42-40+/t55-,56+,57+,58+,59+,60+,61+,62+,63+,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][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:64](=[N:96][C@@H:55]([CH2:51][O:121][C@H:89]1[C@H:76]([OH:117])[C@@H:75]([OH:116])[C@H:82]([O:131][C@H:92]2[C@H:79]([OH:120])[C@@H:85]([O:134][C@H:88]3[C@H:67]([N:95]=[C:54]([CH3:5])[OH:106])[C@@H:74]([OH:115])[C@H:81]([O:130][C@H:91]4[C@H:78]([OH:119])[C@@H:84]([O:133][C@H:87]5[C@H:66]([N:94]=[C:53]([CH3:4])[OH:105])[C@@H:73]([OH:114])[C@H:80]([O:129][C@H:90]6[C@H:77]([OH:118])[C@@H:83]([O:132][C@H:86]7[C@H:65]([N:93]=[C:52]([CH3:3])[OH:104])[C@@H:72]([OH:113])[C@H:68]([OH:109])[C@@H:57]([CH2:44][OH:97])[O:122]7)[C@@H:69]([OH:110])[C@@H:58]([CH2:45][OH:98])[O:123]6)[C@@H:61]([CH2:48][OH:101])[O:126]5)[C@@H:70]([OH:111])[C@@H:59]([CH2:46][OH:99])[O:124]4)[C@@H:62]([CH2:49][OH:102])[O:127]3)[C@@H:71]([OH:112])[C@@H:60]([CH2:47][OH:100])[O:125]2)[C@@H:63]([CH2:50][OH:103])[O:128]1)[C@@H:56](/[CH:42]=[CH:40]/[CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:107])[OH:108] |
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