| Properties | Image |
|---|
| MNX_ID | MNXM522966 |
 |
| reference | slm:000487663 |
| formula | C88H146N4O34 |
| global charge | -2 |
| mol weight | 1804.13 |
| InChIKey | LCKXMSWUBGQABN-VKVYKIFCSA-L |
| InChI | InChI=1S/C88H148N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-66(105)92-57(58(101)44-42-40-38-36-34-32-19-17-15-13-11-9-7-2)53-117-83-75(111)74(110)77(64(51-96)119-83)121-84-76(112)81(78(65(52-97)120-84)122-82-69(91-56(5)100)73(109)71(107)62(49-94)118-82)126-88(86(115)116)47-60(103)68(90-55(4)99)80(125-88)72(108)63(50-95)123-87(85(113)114)46-59(102)67(89-54(3)98)79(124-87)70(106)61(104)48-93/h8,10,14,16,20-21,23-24,26-27,42,44,57-65,67-84,93-97,101-104,106-112H,6-7,9,11-13,15,17-19,22,25,28-41,43,45-53H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,105)(H,113,114)(H,115,116)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,44-42+/t57-,58+,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82-,83+,84-,87+,88-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/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]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/C88H148N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-66(105)92-57(58(101)44-42-40-38-36-34-32-19-17-15-13-11-9-7-2)53-117-83-75(111)74(110)77(64(51-96)119-83)121-84-76(112)81(78(65(52-97)120-84)122-82-69(91-56(5)100)73(109)71(107)62(49-94)118-82)126-88(86(115)116)47-60(103)68(90-55(4)99)80(125-88)72(108)63(50-95)123-87(85(113)114)46-59(102)67(89-54(3)98)79(124-87)70(106)61(104)48-93/h8,10,14,16,20-21,23-24,26-27,42,44,57-65,67-84,93-97,101-104,106-112H,6-7,9,11-13,15,17-19,22,25,28-41,43,45-53H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,105)(H,113,114)(H,115,116)/b10-8-,16-14-,21-20-,24-23-,27-26-,44-42+/t57-,58+,59-,60-,61+,62+,63+,64+,65+,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]/[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][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:66](=[N:92][C@@H:57]([CH2:53][O:117][C@H:83]1[C@H:75]([OH:111])[C@@H:74]([OH:110])[C@H:77]([O:121][C@H:84]2[C@H:76]([OH:112])[C@@H:81]([O:126][C@:88]3([C:86](=[O:115])[OH:116])[CH2:47][C@H:60]([OH:103])[C@@H:68]([N:90]=[C:55]([CH3:4])[OH:99])[C@H:80]([C@@H:72]([C@@H:63]([CH2:50][OH:95])[O:123][C@:87]4([C:85](=[O:113])[OH:114])[CH2:46][C@H:59]([OH:102])[C@@H:67]([N:89]=[C:54]([CH3:3])[OH:98])[C@H:79]([C@@H:70]([C@@H:61]([CH2:48][OH:93])[OH:104])[OH:106])[O:124]4)[OH:108])[O:125]3)[C@@H:78]([O:122][C@H:82]3[C@H:69]([N:91]=[C:56]([CH3:5])[OH:100])[C@@H:73]([OH:109])[C@@H:71]([OH:107])[C@@H:62]([CH2:49][OH:94])[O:118]3)[C@@H:65]([CH2:52][OH:97])[O:120]2)[C@@H:64]([CH2:51][OH:96])[O:119]1)[C@@H:58](/[CH:44]=[CH:42]/[CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:101])[OH:105] |
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