BioLiP

PDB

BioLiP

PDB CCD ID:

YQA

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O5

InChI:

InChI=1S/C7H7NO5/c9-3-1-4(6(10)11)5(7(12)13)8-2-3/h2-3,9H,1H2,(H,10,11)(H,12,13)/t3-/m1/s1

InChIKey:

DNLLCWBTFPFCLN-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O
OpenEye OEToolkits 2.0.6	C1C(C=NC(=C1C(=O)O)C(=O)O)O
CACTVS 3.385	O[C@@H]1CC(=C(N=C1)C(O)=O)C(O)=O
CACTVS 3.385	O[CH]1CC(=C(N=C1)C(O)=O)C(O)=O

Name:

5-hydroxy,-4,5-dihydroquinolinate

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).