BioLiP

PDB

BioLiP

PDB CCD ID:

R2G

Number of entries in BioLiP:

Chemical formula:

C5 H8 O3

InChI:

InChI=1S/C5H8O3/c6-3-5-4(7)1-2-8-5/h1-2,4-7H,3H2/t4-,5+/m1/s1

InChIKey:

SGOSIWMWLVSBIC-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=COC(C1O)CO
CACTVS 3.385	OC[C@@H]1OC=C[C@H]1O
OpenEye OEToolkits 2.0.7	C1=CO[C@H]([C@@H]1O)CO
CACTVS 3.385	OC[CH]1OC=C[CH]1O

Name:

2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol

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).