| PDB CCD ID: | YO3 |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C21 H19 N2 O |
| InChI: | InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1 |
| InChIKey: | VHMUTYCKXYROKA-UHFFFAOYSA-N |
| SMILES: | C[n+]1c2ccccc2oc1C=CC=C3C=CN(c4c3cccc4)C; CN1C=C\C(=C/C=C/c2oc3ccccc3[n+]2C)c4ccccc14; C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C; CN1C=CC(=CC=Cc2oc3ccccc3[n+]2C)c4ccccc14; CN2C=CC(c1c2cccc1)=[C@H][C@H]=[C@H]c3[n+](c4c(o3)cccc4)C |
| Name: | YO3-biotin; 3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium |
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