BioLiP

PDB

BioLiP

PDB CCD ID:

LER

Number of entries in BioLiP:

Chemical formula:

C4 H8 O4

InChI:

InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1

InChIKey:

UQPHVQVXLPRNCX-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(O)C(C(CO)O)=O
OpenEye OEToolkits 1.9.2	C([C@@H](C(=O)CO)O)O
CACTVS 3.385	OC[CH](O)C(=O)CO
OpenEye OEToolkits 1.9.2	C(C(C(=O)CO)O)O
CACTVS 3.385	OC[C@H](O)C(=O)CO

Name:

L-Erythrulose;
(3S)-1,3,4-trihydroxybutan-2-one

ZINC:

ZINC000000901231

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).