BioLiP

PDB

BioLiP

PDB CCD ID:

2HG

Number of entries in BioLiP:

Chemical formula:

C5 H8 O5

InChI:

InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1

InChIKey:

HWXBTNAVRSUOJR-GSVOUGTGSA-N

SMILES:

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

Name:

(2R)-2-hydroxypentanedioic acid

ChEMBL:

CHEMBL1614745

ZINC:

ZINC000000402968

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).