| Properties | Image |
|---|
| MNX_ID | MNXM1064160 |
 |
| reference | glycosphingo:XGNLWTSIGOSDOW_CZGVMDAWSA_M |
| formula | C82H146N3O36 |
| global charge | -1 |
| mol weight | 1750.055 |
| InChIKey | XGNLWTSIGOSDOW-CZGVMDAWSA-M |
| InChI | InChI=1S/C82H147N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-57(97)85-48(49(94)36-34-32-30-28-26-24-18-16-14-12-10-8-6-2)45-110-77-66(104)65(103)70(56(44-91)115-77)116-78-68(106)74(63(101)54(42-89)112-78)119-79-67(105)73(62(100)53(41-88)113-79)118-76-59(84-47(4)93)71(61(99)52(40-87)111-76)117-80-69(107)75(64(102)55(43-90)114-80)121-82(81(108)109)38-50(95)58(83-46(3)92)72(120-82)60(98)51(96)39-86/h34,36,48-56,58-80,86-91,94-96,98-107H,5-33,35,37-45H2,1-4H3,(H,83,92)(H,84,93)(H,85,97)(H,108,109)/p-1/b36-34+/t48-,49+,50-,51+,52+,53+,54+,55+,56+,58+,59+,60+,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78-,79+,80-,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](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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H147N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-57(97)85-48(49(94)36-34-32-30-28-26-24-18-16-14-12-10-8-6-2)45-110-77-66(104)65(103)70(56(44-91)115-77)116-78-68(106)74(63(101)54(42-89)112-78)119-79-67(105)73(62(100)53(41-88)113-79)118-76-59(84-47(4)93)71(61(99)52(40-87)111-76)117-80-69(107)75(64(102)55(43-90)114-80)121-82(81(108)109)38-50(95)58(83-46(3)92)72(120-82)60(98)51(96)39-86/h34,36,48-56,58-80,86-91,94-96,98-107H,5-33,35,37-45H2,1-4H3,(H,83,92)(H,84,93)(H,85,97)(H,108,109)/b36-34+/t48-,49+,50-,51+,52+,53+,54+,55+,56+,58+,59+,60+,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78-,79+,80-,82-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:57](=[N:85][C@@H:48]([CH2:45][O:110][C@H:77]1[C@H:66]([OH:104])[C@@H:65]([OH:103])[C@H:70]([O:116][C@H:78]2[C@H:68]([OH:106])[C@@H:74]([O:119][C@@H:79]3[C@H:67]([OH:105])[C@@H:73]([O:118][C@H:76]4[C@H:59]([N:84]=[C:47]([CH3:4])[OH:93])[C@@H:71]([O:117][C@H:80]5[C@H:69]([OH:107])[C@@H:75]([O:121][C@:82]6([C:81](=[O:108])[OH:109])[CH2:38][C@H:50]([OH:95])[C@@H:58]([N:83]=[C:46]([CH3:3])[OH:92])[C@H:72]([C@@H:60]([C@@H:51]([CH2:39][OH:86])[OH:96])[OH:98])[O:120]6)[C@@H:64]([OH:102])[C@@H:55]([CH2:43][OH:90])[O:114]5)[C@@H:61]([OH:99])[C@@H:52]([CH2:40][OH:87])[O:111]4)[C@@H:62]([OH:100])[C@@H:53]([CH2:41][OH:88])[O:113]3)[C@@H:63]([OH:101])[C@@H:54]([CH2:42][OH:89])[O:112]2)[C@@H:56]([CH2:44][OH:91])[O:115]1)[C@@H:49](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:94])[OH:97] |
|