BioLiP

PDB

BioLiP

PDB CCD ID:

SGU

Number of entries in BioLiP:

Chemical formula:

C5 H10 O3

InChI:

InChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1

InChIKey:

MGKWNPVXYGZJRN-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H]1CCC(O1)(O)O
ACDLabs 12.01	CC1CCC(O)(O)O1
OpenEye OEToolkits 2.0.7	CC1CCC(O1)(O)O
CACTVS 3.385	C[C@H]1CCC(O)(O)O1
CACTVS 3.385	C[CH]1CCC(O)(O)O1

Name:

(5S)-5-methyloxolane-2,2-diol

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).