BioLiP

PDB

BioLiP

PDB CCD ID:

JIM

Number of entries in BioLiP:

Chemical formula:

C5 H10 O4

InChI:

InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m1/s1

InChIKey:

KMZHZAAOEWVPSE-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(=O)OCC(CO)O
OpenEye OEToolkits 1.7.0	CC(=O)OC[C@@H](CO)O
CACTVS 3.352	CC(=O)OC[C@H](O)CO
CACTVS 3.352	CC(=O)OC[CH](O)CO

Name:

(2R)-2,3-dihydroxypropyl acetate;
(1R)-1-glycerol acetate

ZINC:

ZINC000002015933

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).