| Properties | Image |
|---|
| MNX_ID | MNXM1069226 |
 |
| reference | slm:000762343 |
| formula | C86H146N4O41 |
| global charge | -2 |
| mol weight | 1892.101 |
| InChIKey | QIZLEVJAYTWYLO-YDMZHPMDSA-L |
| InChI | InChI=1S/C86H148N4O41/c1-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-59(105)90-49(63(106)50(100)34-32-30-28-26-24-20-18-16-14-12-10-8-2)43-120-80-69(112)68(111)72(57(41-94)123-80)125-82-71(114)78(131-86(84(117)118)37-52(102)60(87-45(3)96)75(128-86)64(107)53(103)38-91)73(58(42-95)124-82)126-79-62(89-47(5)98)74(66(109)55(39-92)121-79)127-81-70(113)77(67(110)56(40-93)122-81)130-85(83(115)116)36-51(101)61(88-46(4)97)76(129-85)65(108)54(104)44-119-48(6)99/h17,19,21-22,49-58,60-82,91-95,100-104,106-114H,7-16,18,20,23-44H2,1-6H3,(H,87,96)(H,88,97)(H,89,98)(H,90,105)(H,115,116)(H,117,118)/p-2/b19-17+,22-21-/t49-,50+,51-,52-,53+,54+,55+,56+,57+,58+,60+,61+,62+,63-,64+,65+,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79-,80+,81-,82-,85-,86-/m0/s1 |
| SMILES | CCCCCC/C=C/C=C\CCCCCCCC(=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](O)COC(C)=O)O5)[C@H]4O)[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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H148N4O41/c1-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-59(105)90-49(63(106)50(100)34-32-30-28-26-24-20-18-16-14-12-10-8-2)43-120-80-69(112)68(111)72(57(41-94)123-80)125-82-71(114)78(131-86(84(117)118)37-52(102)60(87-45(3)96)75(128-86)64(107)53(103)38-91)73(58(42-95)124-82)126-79-62(89-47(5)98)74(66(109)55(39-92)121-79)127-81-70(113)77(67(110)56(40-93)122-81)130-85(83(115)116)36-51(101)61(88-46(4)97)76(129-85)65(108)54(104)44-119-48(6)99/h17,19,21-22,49-58,60-82,91-95,100-104,106-114H,7-16,18,20,23-44H2,1-6H3,(H,87,96)(H,88,97)(H,89,98)(H,90,105)(H,115,116)(H,117,118)/b19-17+,22-21-/t49-,50+,51-,52-,53+,54+,55+,56+,57+,58+,60+,61+,62+,63-,64+,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][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]/[CH:21]=[CH:22]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:59](=[N:90][C@@H:49]([CH2:43][O:120][C@H:80]1[C@H:69]([OH:112])[C@@H:68]([OH:111])[C@H:72]([O:125][C@H:82]2[C@H:71]([OH:114])[C@@H:78]([O:131][C@:86]3([C:84](=[O:117])[OH:118])[CH2:37][C@H:52]([OH:102])[C@@H:60]([N:87]=[C:45]([CH3:3])[OH:96])[C@H:75]([C@@H:64]([C@@H:53]([CH2:38][OH:91])[OH:103])[OH:107])[O:128]3)[C@@H:73]([O:126][C@H:79]3[C@H:62]([N:89]=[C:47]([CH3:5])[OH:98])[C@@H:74]([O:127][C@H:81]4[C@H:70]([OH:113])[C@@H:77]([O:130][C@:85]5([C:83](=[O:115])[OH:116])[CH2:36][C@H:51]([OH:101])[C@@H:61]([N:88]=[C:46]([CH3:4])[OH:97])[C@H:76]([C@@H:65]([C@@H:54]([CH2:44][O:119][C:48]([CH3:6])=[O:99])[OH:104])[OH:108])[O:129]5)[C@@H:67]([OH:110])[C@@H:56]([CH2:40][OH:93])[O:122]4)[C@@H:66]([OH:109])[C@@H:55]([CH2:39][OH:92])[O:121]3)[C@@H:58]([CH2:42][OH:95])[O:124]2)[C@@H:57]([CH2:41][OH:94])[O:123]1)[C@@H:63]([C@@H:50]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:100])[OH:106])[OH:105] |
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