| Properties | Image |
|---|
| MNX_ID | MNXM523687 |
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| reference | slm:000487600 |
| formula | C85H148N3O26 |
| global charge | -1 |
| mol weight | 1628.114 |
| InChIKey | JNRBABDOJMWLHM-IXDRKXDISA-M |
| InChI | InChI=1S/C85H149N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-68(98)88-61(62(95)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)58-107-82-75(103)74(102)77(66(56-91)109-82)111-83-76(104)80(78(67(57-92)110-83)112-81-70(87-60(4)94)73(101)72(100)65(55-90)108-81)114-85(84(105)106)53-63(96)69(86-59(3)93)79(113-85)71(99)64(97)54-89/h13,15,19-20,22-23,25-26,49,51,61-67,69-83,89-92,95-97,99-104H,5-12,14,16-18,21,24,27-48,50,52-58H2,1-4H3,(H,86,93)(H,87,94)(H,88,98)(H,105,106)/p-1/b15-13-,20-19-,23-22-,26-25-,51-49+/t61-,62+,63-,64+,65+,66+,67+,69+,70+,71+,72-,73+,74+,75+,76+,77+,78-,79+,80+,81-,82+,83-,85-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H149N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-68(98)88-61(62(95)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)58-107-82-75(103)74(102)77(66(56-91)109-82)111-83-76(104)80(78(67(57-92)110-83)112-81-70(87-60(4)94)73(101)72(100)65(55-90)108-81)114-85(84(105)106)53-63(96)69(86-59(3)93)79(113-85)71(99)64(97)54-89/h13,15,19-20,22-23,25-26,49,51,61-67,69-83,89-92,95-97,99-104H,5-12,14,16-18,21,24,27-48,50,52-58H2,1-4H3,(H,86,93)(H,87,94)(H,88,98)(H,105,106)/b15-13-,20-19-,23-22-,26-25-,51-49+/t61-,62+,63-,64+,65+,66+,67+,69+,70+,71+,72-,73+,74+,75+,76+,77+,78-,79+,80+,81-,82+,83-,85-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:68](=[N:88][C@@H:61]([CH2:58][O:107][C@H:82]1[C@H:75]([OH:103])[C@@H:74]([OH:102])[C@H:77]([O:111][C@H:83]2[C@H:76]([OH:104])[C@@H:80]([O:114][C@:85]3([C:84](=[O:105])[OH:106])[CH2:53][C@H:63]([OH:96])[C@@H:69]([N:86]=[C:59]([CH3:3])[OH:93])[C@H:79]([C@@H:71]([C@@H:64]([CH2:54][OH:89])[OH:97])[OH:99])[O:113]3)[C@@H:78]([O:112][C@H:81]3[C@H:70]([N:87]=[C:60]([CH3:4])[OH:94])[C@@H:73]([OH:101])[C@@H:72]([OH:100])[C@@H:65]([CH2:55][OH:90])[O:108]3)[C@@H:67]([CH2:57][OH:92])[O:110]2)[C@@H:66]([CH2:56][OH:91])[O:109]1)[C@@H:62](/[CH:51]=[CH:49]/[CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:95])[OH:98] |
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