| Properties | Image |
|---|
| MNX_ID | MNXM522962 |
 |
| reference | slm:000487699 |
| formula | C86H140N4O34 |
| global charge | -2 |
| mol weight | 1774.06 |
| InChIKey | DXMNTVCDMRNMMN-YOBKRRMVSA-L |
| InChI | InChI=1S/C86H142N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(103)90-55(56(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-115-81-73(109)72(108)75(62(49-94)117-81)119-82-74(110)79(76(63(50-95)118-82)120-80-67(89-54(5)98)71(107)69(105)60(47-92)116-80)124-86(84(113)114)45-58(101)66(88-53(4)97)78(123-86)70(106)61(48-93)121-85(83(111)112)44-57(100)65(87-52(3)96)77(122-85)68(104)59(102)46-91/h8,10,14,16,20-21,23-24,26-27,29,31,40,42,55-63,65-82,91-95,99-102,104-110H,6-7,9,11-13,15,17-19,22,25,28,30,32-39,41,43-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,31-29-,42-40+/t55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80-,81+,82-,85+,86-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H142N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(103)90-55(56(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-115-81-73(109)72(108)75(62(49-94)117-81)119-82-74(110)79(76(63(50-95)118-82)120-80-67(89-54(5)98)71(107)69(105)60(47-92)116-80)124-86(84(113)114)45-58(101)66(88-53(4)97)78(123-86)70(106)61(48-93)121-85(83(111)112)44-57(100)65(87-52(3)96)77(122-85)68(104)59(102)46-91/h8,10,14,16,20-21,23-24,26-27,29,31,40,42,55-63,65-82,91-95,99-102,104-110H,6-7,9,11-13,15,17-19,22,25,28,30,32-39,41,43-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/b10-8-,16-14-,21-20-,24-23-,27-26-,31-29-,42-40+/t55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80-,81+,82-,85+,86-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:64](=[N:90][C@@H:55]([CH2:51][O:115][C@H:81]1[C@H:73]([OH:109])[C@@H:72]([OH:108])[C@H:75]([O:119][C@H:82]2[C@H:74]([OH:110])[C@@H:79]([O:124][C@:86]3([C:84](=[O:113])[OH:114])[CH2:45][C@H:58]([OH:101])[C@@H:66]([N:88]=[C:53]([CH3:4])[OH:97])[C@H:78]([C@@H:70]([C@@H:61]([CH2:48][OH:93])[O:121][C@:85]4([C:83](=[O:111])[OH:112])[CH2:44][C@H:57]([OH:100])[C@@H:65]([N:87]=[C:52]([CH3:3])[OH:96])[C@H:77]([C@@H:68]([C@@H:59]([CH2:46][OH:91])[OH:102])[OH:104])[O:122]4)[OH:106])[O:123]3)[C@@H:76]([O:120][C@H:80]3[C@H:67]([N:89]=[C:54]([CH3:5])[OH:98])[C@@H:71]([OH:107])[C@@H:69]([OH:105])[C@@H:60]([CH2:47][OH:92])[O:116]3)[C@@H:63]([CH2:50][OH:95])[O:118]2)[C@@H:62]([CH2:49][OH:94])[O:117]1)[C@@H:56](/[CH:42]=[CH:40]/[CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:99])[OH:103] |
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