BioLiP

PDB

BioLiP

PDB CCD ID:

39J

Number of entries in BioLiP:

Chemical formula:

C4 H7 Cl O2

InChI:

InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey:

RVBUZBPJAGZHSQ-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC[C@@H](C(=O)O)Cl
ACDLabs 12.01	ClC(C(=O)O)CC
CACTVS 3.385	CC[C@H](Cl)C(O)=O
OpenEye OEToolkits 1.9.2	CCC(C(=O)O)Cl
CACTVS 3.385	CC[CH](Cl)C(O)=O

Name:

(2S)-2-chlorobutanoic acid

ZINC:

ZINC000002038037

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).