| Properties | Image (std) | Image (mnx) |
|---|
| MNX_ID | MNXM1421490 |
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 |
| reference | glycosphingo:GHJBYXXRFAQEPO_UHBYWNILSA_N |
| formula (std) | C57H107NO21 |
| global charge (std) | 0 |
| mol weight (std) | 1142.469 |
| InChIKey (std) | GHJBYXXRFAQEPO-UHBYWNILSA-N |
| InChI (std) | InChI=1S/C57H107NO21/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-44(65)58-38(39(62)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)37-74-54-49(70)48(69)51(43(36-61)76-54)77-55-50(71)53(47(68)42(35-60)75-55)79-57(56(72)73)33-40(63)45(66)52(78-57)46(67)41(64)34-59/h38-43,45-55,59-64,66-71H,3-37H2,1-2H3,(H,58,65)(H,72,73)/t38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49+,50+,51+,52+,53-,54+,55-,57-/m0/s1 |
| InChI (mnx) | InChI=1/C57H107NO21/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-44(65)58-38(39(62)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)37-74-54-49(70)48(69)51(43(36-61)76-54)77-55-50(71)53(47(68)42(35-60)75-55)79-57(56(72)73)33-40(63)45(66)52(78-57)46(67)41(64)34-59/h38-43,45-55,59-64,66-71H,3-37H2,1-2H3,(H,58,65)(H,72,73)/t38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49+,50+,51+,52+,53-,54+,55-,57-/m0/s1 |
| SMILES (std) | CCCCCCCCCCCCCCCCCC(=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](O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:44](=[N:58][C@@H:38]([CH2:37][O:74][C@H:54]1[C@H:49]([OH:70])[C@@H:48]([OH:69])[C@H:51]([O:77][C@H:55]2[C@H:50]([OH:71])[C@@H:53]([O:79][C@:57]3([C:56](=[O:72])[OH:73])[CH2:33][C@H:40]([OH:63])[C@@H:45]([OH:66])[C@H:52]([C@@H:46]([C@@H:41]([CH2:34][OH:59])[OH:64])[OH:67])[O:78]3)[C@@H:47]([OH:68])[C@@H:42]([CH2:35][OH:60])[O:75]2)[C@@H:43]([CH2:36][OH:61])[O:76]1)[C@@H:39]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:62])[OH:65] |
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