BioLiP

PDB

BioLiP

PDB CCD ID:

5FN

Number of entries in BioLiP:

Chemical formula:

C8 H12 F N O5

InChI:

InChI=1S/C8H12FNO5/c1-3-10-4-5(12)6(13)8(9,2-11)15-7(4)14-3/h4-7,11-13H,2H2,1H3/t4-,5-,6+,7+,8-/m1/s1

InChIKey:

GCSIDVFZDNBNLE-QQGCVABSSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC1=N[CH]2[CH](O)[CH](O)[C](F)(CO)O[CH]2O1
CACTVS 3.352	CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@](F)(CO)O[C@@H]2O1
ACDLabs 10.04	FC1(OC2OC(=NC2C(O)C1O)C)CO
OpenEye OEToolkits 1.6.1	CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O
OpenEye OEToolkits 1.6.1	CC1=NC2C(C(C(OC2O1)(CO)F)O)O

Name:

(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL

ZINC:

ZINC000058633144

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).