| Properties | Image |
|---|
| MNX_ID | MNXM23699 |
 |
| reference | glycosphingo:CEDSDHDMUUAROA_GUWXSHHGSA_N |
| formula | C80H145NO38 |
| global charge | 0 |
| mol weight | 1729.009 |
| InChIKey | CEDSDHDMUUAROA-GUWXSHHGSA-N |
| InChI | InChI=1S/C80H145NO38/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-52(90)81-43(44(89)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)42-106-74-62(100)59(97)68(50(40-87)112-74)114-76-63(101)60(98)69(51(41-88)113-76)115-77-64(102)71(55(93)46(36-83)108-77)117-79-66(104)73(57(95)48(38-85)110-79)119-80-67(105)72(56(94)49(39-86)111-80)118-78-65(103)70(54(92)47(37-84)109-78)116-75-61(99)58(96)53(91)45(35-82)107-75/h31,33,43-51,53-80,82-89,91-105H,3-30,32,34-42H2,1-2H3,(H,81,90)/b33-31+/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]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)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H145NO38/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-52(90)81-43(44(89)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)42-106-74-62(100)59(97)68(50(40-87)112-74)114-76-63(101)60(98)69(51(41-88)113-76)115-77-64(102)71(55(93)46(36-83)108-77)117-79-66(104)73(57(95)48(38-85)110-79)119-80-67(105)72(56(94)49(39-86)111-80)118-78-65(103)70(54(92)47(37-84)109-78)116-75-61(99)58(96)53(91)45(35-82)107-75/h31,33,43-51,53-80,82-89,91-105H,3-30,32,34-42H2,1-2H3,(H,81,90)/b33-31+/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 |
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| 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][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:52](=[N:81][C@@H:43]([CH2:42][O:106][C@H:74]1[C@H:62]([OH:100])[C@@H:59]([OH:97])[C@H:68]([O:114][C@H:76]2[C@H:63]([OH:101])[C@@H:60]([OH:98])[C@@H:69]([O:115][C@@H:77]3[C@H:64]([OH:102])[C@@H:71]([O:117][C@@H:79]4[C@H:66]([OH:104])[C@@H:73]([O:119][C@@H:80]5[C@H:67]([OH:105])[C@@H:72]([O:118][C@@H:78]6[C@H:65]([OH:103])[C@@H:70]([O:116][C@@H:75]7[C@H:61]([OH:99])[C@@H:58]([OH:96])[C@@H:53]([OH:91])[C@@H:45]([CH2:35][OH:82])[O:107]7)[C@@H:54]([OH:92])[C@@H:47]([CH2:37][OH:84])[O:109]6)[C@@H:56]([OH:94])[C@@H:49]([CH2:39][OH:86])[O:111]5)[C@@H:57]([OH:95])[C@@H:48]([CH2:38][OH:85])[O:110]4)[C@@H:55]([OH:93])[C@@H:46]([CH2:36][OH:83])[O:108]3)[C@@H:51]([CH2:41][OH:88])[O:113]2)[C@@H:50]([CH2:40][OH:87])[O:112]1)[C@@H:44](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:89])[OH:90] |
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