| Properties | Image |
|---|
| MNX_ID | MNXM1061781 |
 |
| reference | slm:000754393 |
| formula | C82H141N2O31S |
| global charge | -1 |
| mol weight | 1683.08 |
| InChIKey | WVFCNELJANSAAI-QGSFRACISA-M |
| InChI | InChI=1S/C82H142N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-62(92)84-55(56(91)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)53-105-79-69(98)67(96)73(60(51-88)109-79)111-80-70(99)68(97)74(61(52-89)110-80)112-81-71(100)76(65(94)58(49-86)107-81)114-78-63(83-54(3)90)75(64(93)57(48-85)106-78)113-82-72(101)77(115-116(102,103)104)66(95)59(50-87)108-82/h6,8,12,14,18-19,21-22,24-25,27-28,55-61,63-82,85-89,91,93-101H,4-5,7,9-11,13,15-17,20,23,26,29-53H2,1-3H3,(H,83,90)(H,84,92)(H,102,103,104)/p-1/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-/t55-,56+,57+,58+,59+,60+,61+,63+,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-,75+,76-,77-,78-,79+,80-,81+,82-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)N[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](OS(=O)(=O)[O-])[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H142N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-62(92)84-55(56(91)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)53-105-79-69(98)67(96)73(60(51-88)109-79)111-80-70(99)68(97)74(61(52-89)110-80)112-81-71(100)76(65(94)58(49-86)107-81)114-78-63(83-54(3)90)75(64(93)57(48-85)106-78)113-82-72(101)77(115-116(102,103)104)66(95)59(50-87)108-82/h6,8,12,14,18-19,21-22,24-25,27-28,55-61,63-82,85-89,91,93-101H,4-5,7,9-11,13,15-17,20,23,26,29-53H2,1-3H3,(H,83,90)(H,84,92)(H,102,103,104)/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-/t55-,56+,57+,58+,59+,60+,61+,63+,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-,75+,76-,77-,78-,79+,80-,81+,82-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:62](=[N:84][C@@H:55]([CH2:53][O:105][C@H:79]1[C@H:69]([OH:98])[C@@H:67]([OH:96])[C@H:73]([O:111][C@H:80]2[C@H:70]([OH:99])[C@@H:68]([OH:97])[C@@H:74]([O:112][C@@H:81]3[C@H:71]([OH:100])[C@@H:76]([O:114][C@H:78]4[C@H:63]([N:83]=[C:54]([CH3:3])[OH:90])[C@@H:75]([O:113][C@H:82]5[C@H:72]([OH:101])[C@@H:77]([O:115][S:116]([OH:102])(=[O:103])=[O:104])[C@@H:66]([OH:95])[C@@H:59]([CH2:50][OH:87])[O:108]5)[C@@H:64]([OH:93])[C@@H:57]([CH2:48][OH:85])[O:106]4)[C@@H:65]([OH:94])[C@@H:58]([CH2:49][OH:86])[O:107]3)[C@@H:61]([CH2:52][OH:89])[O:110]2)[C@@H:60]([CH2:51][OH:88])[O:109]1)[C@@H:56]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:91])[OH:92] |
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