BioLiP

PDB

BioLiP

PDB CCD ID:

8A1

Number of entries in BioLiP:

Chemical formula:

C4 H8 O4

InChI:

InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)/t4-/m0/s1

InChIKey:

DGADNPLBVRLJGD-BYPYZUCNSA-N

SMILES:

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

Name:

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

ZINC:

ZINC000012496001

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).