| Properties | Image |
|---|
| MNX_ID | MNXM26905 |
 |
| reference | glycosphingo:MIJVOKCWSVDJME_SOOXXUOTSA_N |
| formula | C64H117N3O23 |
| global charge | 0 |
| mol weight | 1296.638 |
| InChIKey | MIJVOKCWSVDJME-SOOXXUOTSA-N |
| InChI | InChI=1S/C64H117N3O23/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48(75)67-42(43(74)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)39-83-63-56(81)55(80)58(46(37-70)86-63)88-64-57(82)60(90-62-50(66-41(4)73)54(79)52(77)45(36-69)85-62)59(47(38-71)87-64)89-61-49(65-40(3)72)53(78)51(76)44(35-68)84-61/h31,33,42-47,49-64,68-71,74,76-82H,5-30,32,34-39H2,1-4H3,(H,65,72)(H,66,73)(H,67,75)/b33-31+/t42-,43+,44+,45+,46+,47+,49+,50+,51-,52+,53+,54+,55+,56+,57+,58+,59-,60+,61-,62-,63+,64-/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]3NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H117N3O23/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48(75)67-42(43(74)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)39-83-63-56(81)55(80)58(46(37-70)86-63)88-64-57(82)60(90-62-50(66-41(4)73)54(79)52(77)45(36-69)85-62)59(47(38-71)87-64)89-61-49(65-40(3)72)53(78)51(76)44(35-68)84-61/h31,33,42-47,49-64,68-71,74,76-82H,5-30,32,34-39H2,1-4H3,(H,65,72)(H,66,73)(H,67,75)/b33-31+/t42-,43+,44+,45+,46+,47+,49+,50+,51-,52+,53+,54+,55+,56+,57+,58+,59-,60+,61-,62-,63+,64-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:48](=[N:67][C@@H:42]([CH2:39][O:83][C@H:63]1[C@H:56]([OH:81])[C@@H:55]([OH:80])[C@H:58]([O:88][C@H:64]2[C@H:57]([OH:82])[C@@H:60]([O:90][C@H:62]3[C@H:50]([N:66]=[C:41]([CH3:4])[OH:73])[C@@H:54]([OH:79])[C@H:52]([OH:77])[C@@H:45]([CH2:36][OH:69])[O:85]3)[C@@H:59]([O:89][C@H:61]3[C@H:49]([N:65]=[C:40]([CH3:3])[OH:72])[C@@H:53]([OH:78])[C@@H:51]([OH:76])[C@@H:44]([CH2:35][OH:68])[O:84]3)[C@@H:47]([CH2:38][OH:71])[O:87]2)[C@@H:46]([CH2:37][OH:70])[O:86]1)[C@@H:43](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:74])[OH:75] |
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