BioLiP

PDB

BioLiP

PDB CCD ID:

BGQ

Number of entries in BioLiP:

Chemical formula:

C4 H10 O3

InChI:

InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1

InChIKey:

ARXKVVRQIIOZGF-SCSAIBSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OCC(O)CCO
OpenEye OEToolkits 2.0.7	C(CO)[C@H](CO)O
CACTVS 3.385	OCC[CH](O)CO
CACTVS 3.385	OCC[C@@H](O)CO
OpenEye OEToolkits 2.0.7	C(CO)C(CO)O

Name:

2-HYDROXY BUTANE-1,4-DIOL

ZINC:

ZINC000001690069

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).