| Properties | Image |
|---|
| MNX_ID | MNXM525615 |
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| reference | slm:000487132 |
| formula | C81H133N4O37 |
| global charge | -3 |
| mol weight | 1754.946 |
| InChIKey | RSYOKIIYFUBWNN-ZLCJHJOXSA-K |
| InChI | InChI=1S/C81H136N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h14,16,20-21,25,27,32,34,48-57,59-75,86-90,94-98,100-106H,6-13,15,17-19,22-24,26,28-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/p-3/b16-14-,21-20-,27-25-,34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74+,75-,79+,80+,81-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=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](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](CO)O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H136N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h14,16,20-21,25,27,32,34,48-57,59-75,86-90,94-98,100-106H,6-13,15,17-19,22-24,26,28-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b16-14-,21-20-,27-25-,34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74+,75-,79+,80+,81-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:35][C:58](=[N:85][C@@H:48]([CH2:44][O:113][C@H:74]1[C@H:67]([OH:105])[C@@H:66]([OH:104])[C@H:69]([O:116][C@H:75]2[C@H:68]([OH:106])[C@@H:73]([O:122][C@:81]3([C:78](=[O:111])[OH:112])[CH2:38][C@H:52]([OH:97])[C@@H:61]([N:84]=[C:47]([CH3:5])[OH:93])[C@H:72]([C@@H:65]([C@@H:56]([CH2:42][OH:89])[O:118][C@:80]4([C:77](=[O:109])[OH:110])[CH2:37][C@H:51]([OH:96])[C@@H:60]([N:83]=[C:46]([CH3:4])[OH:92])[C@H:71]([C@@H:64]([C@@H:55]([CH2:41][OH:88])[O:117][C@:79]5([C:76](=[O:107])[OH:108])[CH2:36][C@H:50]([OH:95])[C@@H:59]([N:82]=[C:45]([CH3:3])[OH:91])[C@H:70]([C@@H:62]([C@@H:53]([CH2:39][OH:86])[OH:98])[OH:100])[O:119]5)[OH:102])[O:120]4)[OH:103])[O:121]3)[C@@H:63]([OH:101])[C@@H:54]([CH2:40][OH:87])[O:114]2)[C@@H:57]([CH2:43][OH:90])[O:115]1)[C@@H:49](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:94])[OH:99] |
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