| Properties | Image |
|---|
| MNX_ID | MNXM27058 |
 |
| reference | glycosphingo:NIIWBYJFWUANGD_HDMGTLSXSA_N |
| formula | C84H153NO38 |
| global charge | 0 |
| mol weight | 1785.117 |
| InChIKey | NIIWBYJFWUANGD-HDMGTLSXSA-N |
| InChI | InChI=1S/C84H153NO38/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-56(94)85-47(48(93)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)46-110-78-66(104)63(101)72(54(44-91)116-78)118-80-67(105)64(102)73(55(45-92)117-80)119-81-68(106)75(59(97)50(40-87)112-81)121-83-70(108)77(61(99)52(42-89)114-83)123-84-71(109)76(60(98)53(43-90)115-84)122-82-69(107)74(58(96)51(41-88)113-82)120-79-65(103)62(100)57(95)49(39-86)111-79/h35,37,47-55,57-84,86-93,95-109H,3-34,36,38-46H2,1-2H3,(H,85,94)/b37-35+/t47-,48+,49+,50+,51+,52+,53+,54+,55+,57-,58-,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+/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)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C84H153NO38/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-56(94)85-47(48(93)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)46-110-78-66(104)63(101)72(54(44-91)116-78)118-80-67(105)64(102)73(55(45-92)117-80)119-81-68(106)75(59(97)50(40-87)112-81)121-83-70(108)77(61(99)52(42-89)114-83)123-84-71(109)76(60(98)53(43-90)115-84)122-82-69(107)74(58(96)51(41-88)113-82)120-79-65(103)62(100)57(95)49(39-86)111-79/h35,37,47-55,57-84,86-93,95-109H,3-34,36,38-46H2,1-2H3,(H,85,94)/b37-35+/t47-,48+,49+,50+,51+,52+,53+,54+,55+,57-,58-,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+/m0/s1 |
 |
| 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][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:56](=[N:85][C@@H:47]([CH2:46][O:110][C@H:78]1[C@H:66]([OH:104])[C@@H:63]([OH:101])[C@H:72]([O:118][C@H:80]2[C@H:67]([OH:105])[C@@H:64]([OH:102])[C@@H:73]([O:119][C@@H:81]3[C@H:68]([OH:106])[C@@H:75]([O:121][C@@H:83]4[C@H:70]([OH:108])[C@@H:77]([O:123][C@@H:84]5[C@H:71]([OH:109])[C@@H:76]([O:122][C@@H:82]6[C@H:69]([OH:107])[C@@H:74]([O:120][C@@H:79]7[C@H:65]([OH:103])[C@@H:62]([OH:100])[C@@H:57]([OH:95])[C@@H:49]([CH2:39][OH:86])[O:111]7)[C@@H:58]([OH:96])[C@@H:51]([CH2:41][OH:88])[O:113]6)[C@@H:60]([OH:98])[C@@H:53]([CH2:43][OH:90])[O:115]5)[C@@H:61]([OH:99])[C@@H:52]([CH2:42][OH:89])[O:114]4)[C@@H:59]([OH:97])[C@@H:50]([CH2:40][OH:87])[O:112]3)[C@@H:55]([CH2:45][OH:92])[O:117]2)[C@@H:54]([CH2:44][OH:91])[O:116]1)[C@@H:48](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:93])[OH:94] |
|