BioLiP

PDB

BioLiP

PDB CCD ID:

RCI

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-/m1/s1

InChIKey:

GAWAYYRQGQZKCR-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](Cl)C(O)=O
OpenEye OEToolkits 2.0.6	C[C@H](C(=O)O)Cl
CACTVS 3.385	C[CH](Cl)C(O)=O
OpenEye OEToolkits 2.0.6	CC(C(=O)O)Cl

Name:

(R)-2-Chloropropionic acid;
(R)-2-Chloropropanoic acid

ZINC:

ZINC000001555333

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).