| Properties | Image |
|---|
| MNX_ID | MNXM1064176 |
 |
| reference | slm:000756832 |
| formula | C81H146N3O37 |
| global charge | -1 |
| mol weight | 1754.043 |
| InChIKey | KZUSNPAYRNSUGN-MJXSIYNVSA-M |
| InChI | InChI=1S/C81H147N3O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-55(96)84-46(58(97)47(93)34-32-30-28-26-24-18-16-14-12-10-8-6-2)43-110-76-65(104)64(103)69(54(42-90)115-76)116-77-67(106)73(62(101)52(40-88)112-77)119-78-66(105)72(61(100)51(39-87)113-78)118-75-57(83-45(4)92)70(60(99)50(38-86)111-75)117-79-68(107)74(63(102)53(41-89)114-79)121-81(80(108)109)36-48(94)56(82-44(3)91)71(120-81)59(98)49(95)37-85/h46-54,56-79,85-90,93-95,97-107H,5-43H2,1-4H3,(H,82,91)(H,83,92)(H,84,96)(H,108,109)/p-1/t46-,47+,48-,49+,50+,51+,52+,53+,54+,56+,57+,58-,59+,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72-,73-,74-,75-,76+,77-,78+,79-,81-/m0/s1 |
| SMILES | 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](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)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H147N3O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-55(96)84-46(58(97)47(93)34-32-30-28-26-24-18-16-14-12-10-8-6-2)43-110-76-65(104)64(103)69(54(42-90)115-76)116-77-67(106)73(62(101)52(40-88)112-77)119-78-66(105)72(61(100)51(39-87)113-78)118-75-57(83-45(4)92)70(60(99)50(38-86)111-75)117-79-68(107)74(63(102)53(41-89)114-79)121-81(80(108)109)36-48(94)56(82-44(3)91)71(120-81)59(98)49(95)37-85/h46-54,56-79,85-90,93-95,97-107H,5-43H2,1-4H3,(H,82,91)(H,83,92)(H,84,96)(H,108,109)/t46-,47+,48-,49+,50+,51+,52+,53+,54+,56+,57+,58-,59+,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72-,73-,74-,75-,76+,77-,78+,79-,81-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:55](=[N:84][C@@H:46]([CH2:43][O:110][C@H:76]1[C@H:65]([OH:104])[C@@H:64]([OH:103])[C@H:69]([O:116][C@H:77]2[C@H:67]([OH:106])[C@@H:73]([O:119][C@@H:78]3[C@H:66]([OH:105])[C@@H:72]([O:118][C@H:75]4[C@H:57]([N:83]=[C:45]([CH3:4])[OH:92])[C@@H:70]([O:117][C@H:79]5[C@H:68]([OH:107])[C@@H:74]([O:121][C@:81]6([C:80](=[O:108])[OH:109])[CH2:36][C@H:48]([OH:94])[C@@H:56]([N:82]=[C:44]([CH3:3])[OH:91])[C@H:71]([C@@H:59]([C@@H:49]([CH2:37][OH:85])[OH:95])[OH:98])[O:120]6)[C@@H:63]([OH:102])[C@@H:53]([CH2:41][OH:89])[O:114]5)[C@@H:60]([OH:99])[C@@H:50]([CH2:38][OH:86])[O:111]4)[C@@H:61]([OH:100])[C@@H:51]([CH2:39][OH:87])[O:113]3)[C@@H:62]([OH:101])[C@@H:52]([CH2:40][OH:88])[O:112]2)[C@@H:54]([CH2:42][OH:90])[O:115]1)[C@@H:58]([C@@H:47]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:93])[OH:97])[OH:96] |
|