Details of Allium-Lectin
| IUPAC | [(3S)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate |
| Canonical Smiles | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O |
| Inchi | AJTUNRJTNFESSC-DPBDWXOKSA-N |
| PubChem ID | 451715 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(O)OC(COC2OC(CO)C(O[PH](=O)(=O)O)C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C2NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(O)C1OC(=O)CC(O)CCCCCCCCCCC |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCCCCCCCCCCCCCCC%28%3DO%29OC%28CCCCCCCCCCC%29CC%28%3DO%29NC1C%28O%29OC%28COC2OC%28CO%29C%28O%5BPH%5D%28%3DO%29%28%3DO%29O%29C%28OC%28%3DO%29CC%28CCCCCCCCCCC%29OC%28%3DO%29CCCCCCCCCCCCC%29C2NC%28%3DO%29CC%28CCCCCCCCCCC%29OC%28%3DO%29CCCCCCCCCCC%29C%28O%29C1OC%28%3DO%29CC%28O%29CCCCCCCCCCC/file?format=sdf&get3d=True -- CCCCCCCCCCCCCCCC%28%3DO%29OC%28CCCCCCCCCCC%29CC%28%3DO%29NC1C%28O%29OC%28COC2OC%28CO%29C%28O%5BPH%5D%28%3DO%29%28%3DO%29O%29C%28OC%28%3DO%29CC%28CCCCCCCCCCC%29OC%28%3DO%29CCCCCCCCCCCCC%29C2NC%28%3DO%29CC%28CCCCCCCCCCC%29OC%28%3DO%29CCCCCCCCCCC%29C%28O%29C1OC%28%3DO%29CC%28O%29CCCCCCCCCCC could not be loaded.
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