BioLiP

PDB

BioLiP

PDB CCD ID:

EZ4

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O6

InChI:

InChI=1S/C5H9NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10H,1H2/t2-,3-,4+/m1/s1

InChIKey:

VIMQVNVKLDVNFU-JJYYJPOSSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC[CH](O)[CH](O)[CH](O)C(=O)N=O
CACTVS 3.370	OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)N=O
OpenEye OEToolkits 1.7.0	C(C(C(C(C(=O)N=O)O)O)O)O
OpenEye OEToolkits 1.7.0	C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O
ACDLabs 12.01	O=NC(=O)C(O)C(O)C(O)CO

Name:

(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide

ZINC:

ZINC000095921362

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).