BioLiP

PDB

BioLiP

PDB CCD ID:

DE2

Number of entries in BioLiP:

Chemical formula:

C4 H8 O3

InChI:

InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3/t4-/m0/s1

InChIKey:

SEYLPRWNVFCVRQ-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)[CH](O)CO
CACTVS 3.385	CC(=O)[C@@H](O)CO
OpenEye OEToolkits 1.7.6	CC(=O)[C@H](CO)O
OpenEye OEToolkits 1.7.6	CC(=O)C(CO)O
ACDLabs 12.01	O=C(C)C(O)CO

Name:

1-deoxy-L-erythrulose

ZINC:

ZINC000013517393

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).