BioLiP

PDB

BioLiP

PDB CCD ID:

2C2

Number of entries in BioLiP:

Chemical formula:

C10 H8 O4

InChI:

InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)/t10-/m0/s1

InChIKey:

LGYIZQLNYONEFJ-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O
CACTVS 3.341	OC(=O)[C@@]1(O)Oc2ccccc2C=C1
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)C=CC(O2)(C(=O)O)O
CACTVS 3.341	OC(=O)[C]1(O)Oc2ccccc2C=C1
ACDLabs 10.04	O=C(O)C2(O)Oc1ccccc1C=C2

Name:

(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID

DrugBank:

DB06952

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).