BioLiP

PDB

BioLiP

PDB CCD ID:

CNR

Number of entries in BioLiP:

Chemical formula:

C3 H5 Cl O2

InChI:

InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1

InChIKey:

GAWAYYRQGQZKCR-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@@H](C(=O)O)Cl
CACTVS 3.341	C[CH](Cl)C(O)=O
CACTVS 3.341	C[C@H](Cl)C(O)=O
ACDLabs 10.04	ClC(C(=O)O)C
OpenEye OEToolkits 1.5.0	CC(C(=O)O)Cl

Name:

(2S)-2-CHLOROPROPANOIC ACID;
2-MONOCHLOROPRAPANATE

ZINC:

ZINC000002034501

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).