BioLiP

PDB

BioLiP

PDB CCD ID:

RMN

Number of entries in BioLiP:

Chemical formula:

C8 H8 O3

InChI:

InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1

InChIKey:

IWYDHOAUDWTVEP-SSDOTTSWSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH](C(O)=O)c1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)[C@H](C(=O)O)O
CACTVS 3.341	O[C@@H](C(O)=O)c1ccccc1
ACDLabs 10.04	O=C(O)C(O)c1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(C(=O)O)O

Name:

(R)-MANDELIC ACID

ChEMBL:

CHEMBL292411

DrugBank:

DB02280

ZINC:

ZINC000000164392

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).