BioLiP

PDB

BioLiP

PDB CCD ID:

OGU

Number of entries in BioLiP:

Chemical formula:

C4 H8 O4

InChI:

InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1

InChIKey:

LOUGYXZSURQALL-STHAYSLISA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 3.1.0.0	CC(C(C(=O)O)O)O
OpenEye OEToolkits 3.1.0.0	C[C@@H]([C@H](C(=O)O)O)O
CACTVS 3.385	C[CH](O)[CH](O)C(O)=O

Name:

2,3-diOH-butyric acid;
(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid;
(2R,3S)-2,3-dihydroxybutyric acid

ZINC:

ZINC000001695856

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).