| Properties | Image |
|---|
| MNX_ID | MNXM522859 |
 |
| reference | slm:000486934 |
| formula | C88H152N4O39 |
| global charge | -2 |
| mol weight | 1890.173 |
| InChIKey | BLJJHJBGNJXFGZ-RUNYBNHYSA-L |
| InChI | InChI=1S/C88H154N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(106)92-52(53(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-120-82-72(113)70(111)76(60(46-97)123-82)126-83-73(114)71(112)75(61(47-98)124-83)125-81-65(91-51(5)101)77(67(108)57(43-94)121-81)127-84-74(115)80(68(109)58(44-95)122-84)131-88(86(118)119)41-55(104)64(90-50(4)100)79(130-88)69(110)59(45-96)128-87(85(116)117)40-54(103)63(89-49(3)99)78(129-87)66(107)56(105)42-93/h20-21,36,38,52-61,63-84,93-98,102-105,107-115H,6-19,22-35,37,39-48H2,1-5H3,(H,89,99)(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/p-2/b21-20-,38-36+/t52-,53+,54-,55-,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+,83-,84-,87+,88-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=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@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H154N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(106)92-52(53(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-120-82-72(113)70(111)76(60(46-97)123-82)126-83-73(114)71(112)75(61(47-98)124-83)125-81-65(91-51(5)101)77(67(108)57(43-94)121-81)127-84-74(115)80(68(109)58(44-95)122-84)131-88(86(118)119)41-55(104)64(90-50(4)100)79(130-88)69(110)59(45-96)128-87(85(116)117)40-54(103)63(89-49(3)99)78(129-87)66(107)56(105)42-93/h20-21,36,38,52-61,63-84,93-98,102-105,107-115H,6-19,22-35,37,39-48H2,1-5H3,(H,89,99)(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/b21-20-,38-36+/t52-,53+,54-,55-,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+,83-,84-,87+,88-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:62](=[N:92][C@@H:52]([CH2:48][O:120][C@H:82]1[C@H:72]([OH:113])[C@@H:70]([OH:111])[C@H:76]([O:126][C@H:83]2[C@H:73]([OH:114])[C@@H:71]([OH:112])[C@@H:75]([O:125][C@H:81]3[C@H:65]([N:91]=[C:51]([CH3:5])[OH:101])[C@@H:77]([O:127][C@H:84]4[C@H:74]([OH:115])[C@@H:80]([O:131][C@:88]5([C:86](=[O:118])[OH:119])[CH2:41][C@H:55]([OH:104])[C@@H:64]([N:90]=[C:50]([CH3:4])[OH:100])[C@H:79]([C@@H:69]([C@@H:59]([CH2:45][OH:96])[O:128][C@:87]6([C:85](=[O:116])[OH:117])[CH2:40][C@H:54]([OH:103])[C@@H:63]([N:89]=[C:49]([CH3:3])[OH:99])[C@H:78]([C@@H:66]([C@@H:56]([CH2:42][OH:93])[OH:105])[OH:107])[O:129]6)[OH:110])[O:130]5)[C@@H:68]([OH:109])[C@@H:58]([CH2:44][OH:95])[O:122]4)[C@@H:67]([OH:108])[C@@H:57]([CH2:43][OH:94])[O:121]3)[C@@H:61]([CH2:47][OH:98])[O:124]2)[C@@H:60]([CH2:46][OH:97])[O:123]1)[C@@H:53](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:102])[OH:106] |
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