BioLiP

PDB

BioLiP

PDB CCD ID:

2OP

Number of entries in BioLiP:

Chemical formula:

C3 H6 O3

InChI:

InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1

InChIKey:

JVTAAEKCZFNVCJ-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C[C@@H](C(=O)O)O
ACDLabs 12.01	O=C(O)C(O)C
CACTVS 3.370	C[CH](O)C(O)=O
CACTVS 3.370	C[C@H](O)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C(=O)O)O

Name:

(2S)-2-HYDROXYPROPANOIC ACID

ChEMBL:

CHEMBL330546

DrugBank:

DB14475

ZINC:

ZINC000004658560

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).