BioLiP

PDB

BioLiP

PDB CCD ID:

A1LXD

Number of entries in BioLiP:

Chemical formula:

C5 H8 O5

InChI:

InChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1

InChIKey:

DONPUMGGARYEMQ-UCORVYFPSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H]1CO[C@@](O)(C1)C(O)=O
OpenEye OEToolkits 2.0.7	C1C(COC1(C(=O)O)O)O
OpenEye OEToolkits 2.0.7	C1[C@@H](CO[C@@]1(C(=O)O)O)O
CACTVS 3.385	O[CH]1CO[C](O)(C1)C(O)=O

Name:

D-2-keto-3-deoxypentonate;
(2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid

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).