| Properties | Image |
|---|
| MNX_ID | MNXM522829 |
 |
| reference | slm:000486984 |
| formula | C78H134N4O39 |
| global charge | -2 |
| mol weight | 1751.919 |
| InChIKey | UBMQRDCOQZCIEK-JNFYROFQSA-L |
| InChI | InChI=1S/C78H136N4O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(92)42(82-52(96)29-27-25-23-20-15-13-11-9-7-2)38-110-72-62(103)60(101)66(50(36-87)113-72)116-73-63(104)61(102)65(51(37-88)114-73)115-71-55(81-41(5)91)67(57(98)47(33-84)111-71)117-74-64(105)70(58(99)48(34-85)112-74)121-78(76(108)109)31-45(94)54(80-40(4)90)69(120-78)59(100)49(35-86)118-77(75(106)107)30-44(93)53(79-39(3)89)68(119-77)56(97)46(95)32-83/h26,28,42-51,53-74,83-88,92-95,97-105H,6-25,27,29-38H2,1-5H3,(H,79,89)(H,80,90)(H,81,91)(H,82,96)(H,106,107)(H,108,109)/p-2/b28-26+/t42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70-,71-,72+,73-,74-,77+,78-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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)NC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H136N4O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(92)42(82-52(96)29-27-25-23-20-15-13-11-9-7-2)38-110-72-62(103)60(101)66(50(36-87)113-72)116-73-63(104)61(102)65(51(37-88)114-73)115-71-55(81-41(5)91)67(57(98)47(33-84)111-71)117-74-64(105)70(58(99)48(34-85)112-74)121-78(76(108)109)31-45(94)54(80-40(4)90)69(120-78)59(100)49(35-86)118-77(75(106)107)30-44(93)53(79-39(3)89)68(119-77)56(97)46(95)32-83/h26,28,42-51,53-74,83-88,92-95,97-105H,6-25,27,29-38H2,1-5H3,(H,79,89)(H,80,90)(H,81,91)(H,82,96)(H,106,107)(H,108,109)/b28-26+/t42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70-,71-,72+,73-,74-,77+,78-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:22][CH2:24]/[CH:26]=[CH:28]/[C@H:43]([C@H:42]([CH2:38][O:110][C@H:72]1[C@H:62]([OH:103])[C@@H:60]([OH:101])[C@H:66]([O:116][C@H:73]2[C@H:63]([OH:104])[C@@H:61]([OH:102])[C@@H:65]([O:115][C@H:71]3[C@H:55]([N:81]=[C:41]([CH3:5])[OH:91])[C@@H:67]([O:117][C@H:74]4[C@H:64]([OH:105])[C@@H:70]([O:121][C@:78]5([C:76](=[O:108])[OH:109])[CH2:31][C@H:45]([OH:94])[C@@H:54]([N:80]=[C:40]([CH3:4])[OH:90])[C@H:69]([C@@H:59]([C@@H:49]([CH2:35][OH:86])[O:118][C@:77]6([C:75](=[O:106])[OH:107])[CH2:30][C@H:44]([OH:93])[C@@H:53]([N:79]=[C:39]([CH3:3])[OH:89])[C@H:68]([C@@H:56]([C@@H:46]([CH2:32][OH:83])[OH:95])[OH:97])[O:119]6)[OH:100])[O:120]5)[C@@H:58]([OH:99])[C@@H:48]([CH2:34][OH:85])[O:112]4)[C@@H:57]([OH:98])[C@@H:47]([CH2:33][OH:84])[O:111]3)[C@@H:51]([CH2:37][OH:88])[O:114]2)[C@@H:50]([CH2:36][OH:87])[O:113]1)[N:82]=[C:52]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:96])[OH:92] |
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