| Properties | Image |
|---|
| MNX_ID | MNXM28223 |
 |
| reference | glycosphingo:ZHUSNKVTZUKVTF_DEXRIHHSSA_N |
| formula | C82H147N3O33 |
| global charge | 0 |
| mol weight | 1703.066 |
| InChIKey | ZHUSNKVTZUKVTF-DEXRIHHSSA-N |
| InChI | InChI=1S/C82H147N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(94)85-50(51(93)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-107-79-71(105)68(102)75(56(45-90)113-79)117-82-72(106)76(118-78-60(84-49(4)92)65(99)74(55(44-89)112-78)116-81-70(104)67(101)62(96)53(42-87)110-81)63(97)57(114-82)47-108-77-59(83-48(3)91)64(98)73(54(43-88)111-77)115-80-69(103)66(100)61(95)52(41-86)109-80/h19-20,37,39,50-57,59-82,86-90,93,95-106H,5-18,21-36,38,40-47H2,1-4H3,(H,83,91)(H,84,92)(H,85,94)/b20-19-,39-37+/t50-,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-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[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]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/C82H147N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(94)85-50(51(93)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-107-79-71(105)68(102)75(56(45-90)113-79)117-82-72(106)76(118-78-60(84-49(4)92)65(99)74(55(44-89)112-78)116-81-70(104)67(101)62(96)53(42-87)110-81)63(97)57(114-82)47-108-77-59(83-48(3)91)64(98)73(54(43-88)111-77)115-80-69(103)66(100)61(95)52(41-86)109-80/h19-20,37,39,50-57,59-82,86-90,93,95-106H,5-18,21-36,38,40-47H2,1-4H3,(H,83,91)(H,84,92)(H,85,94)/b20-19-,39-37+/t50-,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-/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][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:58](=[N:85][C@@H:50]([CH2:46][O:107][C@H:79]1[C@H:71]([OH:105])[C@@H:68]([OH:102])[C@H:75]([O:117][C@H:82]2[C@H:72]([OH:106])[C@@H:76]([O:118][C@H:78]3[C@H:60]([N:84]=[C:49]([CH3:4])[OH:92])[C@@H:65]([OH:99])[C@H:74]([O:116][C@H:81]4[C@H:70]([OH:104])[C@@H:67]([OH:101])[C@@H:62]([OH:96])[C@@H:53]([CH2:42][OH:87])[O:110]4)[C@@H:55]([CH2:44][OH:89])[O:112]3)[C@@H:63]([OH:97])[C@@H:57]([CH2:47][O:108][C@H:77]3[C@H:59]([N:83]=[C:48]([CH3:3])[OH:91])[C@@H:64]([OH:98])[C@H:73]([O:115][C@H:80]4[C@H:69]([OH:103])[C@@H:66]([OH:100])[C@@H:61]([OH:95])[C@@H:52]([CH2:41][OH:86])[O:109]4)[C@@H:54]([CH2:43][OH:88])[O:111]3)[O:114]2)[C@@H:56]([CH2:45][OH:90])[O:113]1)[C@@H:51](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:93])[OH:94] |
|