| PDB CCD ID: | YO3 |
| Number of entries in BioLiP: | 0 |
| 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: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[n+]1c2ccccc2oc1C=CC=C3C=CN(c4c3cccc4)C | | CACTVS 3.385 | CN1C=C\C(=C/C=C/c2oc3ccccc3[n+]2C)c4ccccc14 | | OpenEye OEToolkits 2.0.7 | C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C | | CACTVS 3.385 | CN1C=CC(=CC=Cc2oc3ccccc3[n+]2C)c4ccccc14 | | ACDLabs 12.01 | 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 |
zhanggroup.org