| Properties | Image |
|---|
| MNX_ID | MNXM29329 |
 |
| reference | glycosphingo:CXECKFIYHRHOPP_DYEZNSRLSA_N |
| formula | C80H143N3O38 |
| global charge | 0 |
| mol weight | 1755.007 |
| InChIKey | CXECKFIYHRHOPP-DYEZNSRLSA-N |
| InChI | InChI=1S/C80H143N3O38/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(93)43(83-52(94)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)40-108-76-64(104)62(102)70(51(39-90)115-76)118-80-66(106)72(57(97)47(35-86)112-80)120-75-53(81-41(3)91)59(99)68(49(37-88)113-75)116-78-65(105)71(56(96)46(34-85)110-78)119-74-54(82-42(4)92)60(100)69(50(38-89)114-74)117-79-67(107)73(58(98)48(36-87)111-79)121-77-63(103)61(101)55(95)45(33-84)109-77/h29,31,43-51,53-80,84-90,93,95-107H,5-28,30,32-40H2,1-4H3,(H,81,91)(H,82,92)(H,83,94)/b31-29+/t43-,44+,45+,46+,47+,48+,49+,50+,51+,53+,54+,55-,56-,57-,58-,59+,60+,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-/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]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)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H143N3O38/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(93)43(83-52(94)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)40-108-76-64(104)62(102)70(51(39-90)115-76)118-80-66(106)72(57(97)47(35-86)112-80)120-75-53(81-41(3)91)59(99)68(49(37-88)113-75)116-78-65(105)71(56(96)46(34-85)110-78)119-74-54(82-42(4)92)60(100)69(50(38-89)114-74)117-79-67(107)73(58(98)48(36-87)111-79)121-77-63(103)61(101)55(95)45(33-84)109-77/h29,31,43-51,53-80,84-90,93,95-107H,5-28,30,32-40H2,1-4H3,(H,81,91)(H,82,92)(H,83,94)/b31-29+/t43-,44+,45+,46+,47+,48+,49+,50+,51+,53+,54+,55-,56-,57-,58-,59+,60+,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:44]([C@H:43]([CH2:40][O:108][C@H:76]1[C@H:64]([OH:104])[C@@H:62]([OH:102])[C@H:70]([O:118][C@H:80]2[C@H:66]([OH:106])[C@@H:72]([O:120][C@H:75]3[C@H:53]([N:81]=[C:41]([CH3:3])[OH:91])[C@@H:59]([OH:99])[C@H:68]([O:116][C@H:78]4[C@H:65]([OH:105])[C@@H:71]([O:119][C@H:74]5[C@H:54]([N:82]=[C:42]([CH3:4])[OH:92])[C@@H:60]([OH:100])[C@H:69]([O:117][C@H:79]6[C@H:67]([OH:107])[C@@H:73]([O:121][C@@H:77]7[C@H:63]([OH:103])[C@@H:61]([OH:101])[C@@H:55]([OH:95])[C@@H:45]([CH2:33][OH:84])[O:109]7)[C@@H:58]([OH:98])[C@@H:48]([CH2:36][OH:87])[O:111]6)[C@@H:50]([CH2:38][OH:89])[O:114]5)[C@@H:56]([OH:96])[C@@H:46]([CH2:34][OH:85])[O:110]4)[C@@H:49]([CH2:37][OH:88])[O:113]3)[C@@H:57]([OH:97])[C@@H:47]([CH2:35][OH:86])[O:112]2)[C@@H:51]([CH2:39][OH:90])[O:115]1)[N:83]=[C:52]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:94])[OH:93] |
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