BioLiP

PDB

BioLiP

PDB CCD ID:

BGQ

Number of entries in BioLiP:

Chemical formula:

C4 H9 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
CACTVS 3.385	[O]C[CH](O)CCO
ACDLabs 12.01	OCC(O)CCO
CACTVS 3.385	[O]C[C@H](O)CCO
OpenEye OEToolkits 1.7.6	C(CO)C(C[O])O
OpenEye OEToolkits 1.7.6	C(CO)[C@H](C[O])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).