| Properties | Image |
|---|
| MNX_ID | MNXM1064158 |
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| reference | slm:000756814 |
| formula | C78H138N3O36 |
| global charge | -1 |
| mol weight | 1693.947 |
| InChIKey | IRERPDBWOAGYCB-IGXPTOOOSA-M |
| InChI | InChI=1S/C78H139N3O36/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(93)81-44(45(90)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)41-106-73-62(100)61(99)66(52(40-87)111-73)112-74-64(102)70(59(97)50(38-85)108-74)115-75-63(101)69(58(96)49(37-84)109-75)114-72-55(80-43(4)89)67(57(95)48(36-83)107-72)113-76-65(103)71(60(98)51(39-86)110-76)117-78(77(104)105)34-46(91)54(79-42(3)88)68(116-78)56(94)47(92)35-82/h30,32,44-52,54-76,82-87,90-92,94-103H,5-29,31,33-41H2,1-4H3,(H,79,88)(H,80,89)(H,81,93)(H,104,105)/p-1/b32-30+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73+,74-,75+,76-,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](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@@H]5O[C@H](CO)[C@H](O)[C@H](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)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H139N3O36/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(93)81-44(45(90)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)41-106-73-62(100)61(99)66(52(40-87)111-73)112-74-64(102)70(59(97)50(38-85)108-74)115-75-63(101)69(58(96)49(37-84)109-75)114-72-55(80-43(4)89)67(57(95)48(36-83)107-72)113-76-65(103)71(60(98)51(39-86)110-76)117-78(77(104)105)34-46(91)54(79-42(3)88)68(116-78)56(94)47(92)35-82/h30,32,44-52,54-76,82-87,90-92,94-103H,5-29,31,33-41H2,1-4H3,(H,79,88)(H,80,89)(H,81,93)(H,104,105)/b32-30+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73+,74-,75+,76-,78-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:53](=[N:81][C@@H:44]([CH2:41][O:106][C@H:73]1[C@H:62]([OH:100])[C@@H:61]([OH:99])[C@H:66]([O:112][C@H:74]2[C@H:64]([OH:102])[C@@H:70]([O:115][C@@H:75]3[C@H:63]([OH:101])[C@@H:69]([O:114][C@H:72]4[C@H:55]([N:80]=[C:43]([CH3:4])[OH:89])[C@@H:67]([O:113][C@H:76]5[C@H:65]([OH:103])[C@@H:71]([O:117][C@:78]6([C:77](=[O:104])[OH:105])[CH2:34][C@H:46]([OH:91])[C@@H:54]([N:79]=[C:42]([CH3:3])[OH:88])[C@H:68]([C@@H:56]([C@@H:47]([CH2:35][OH:82])[OH:92])[OH:94])[O:116]6)[C@@H:60]([OH:98])[C@@H:51]([CH2:39][OH:86])[O:110]5)[C@@H:57]([OH:95])[C@@H:48]([CH2:36][OH:83])[O:107]4)[C@@H:58]([OH:96])[C@@H:49]([CH2:37][OH:84])[O:109]3)[C@@H:59]([OH:97])[C@@H:50]([CH2:38][OH:85])[O:108]2)[C@@H:52]([CH2:40][OH:87])[O:111]1)[C@@H:45](/[CH:32]=[CH:30]/[CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:90])[OH:93] |
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