BioLiP

PDB

BioLiP

PDB CCD ID:

6OM

Number of entries in BioLiP:

Chemical formula:

C5 H10 O2

InChI:

InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3/b5-2-

InChIKey:

FLXLJBCLEUWWCG-DJWKRKHSSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(CO)=CCO
OpenEye OEToolkits 2.0.4	C/C(=C/CO)/CO
OpenEye OEToolkits 2.0.4	CC(=CCO)CO
CACTVS 3.385	C/C(CO)=C/CO
ACDLabs 12.01	C(/CO)(=C/CO)C

Name:

(2Z)-2-methylbut-2-ene-1,4-diol

ZINC:

ZINC000014590627

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).