BioLiP

PDB

BioLiP

PDB CCD ID:

89V

Number of entries in BioLiP:

Chemical formula:

C5 H10 O4

InChI:

InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m1/s1

InChIKey:

JTEYKUFKXGDTEU-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)([C@@H](C(=O)O)O)O
CACTVS 3.385	CC(C)(O)[CH](O)C(O)=O
CACTVS 3.385	CC(C)(O)[C@H](O)C(O)=O
ACDLabs 12.01	OC(=O)C(O)C(C)(C)O
OpenEye OEToolkits 2.0.6	CC(C)(C(C(=O)O)O)O

Name:

(2S)-2,3-dihydroxy-3-methylbutanoic acid

ZINC:

ZINC000000901904

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).