BioLiP

PDB

BioLiP

PDB CCD ID:

A1EEZ

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O7

InChI:

InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5?,6+,7+/m0/s1

InChIKey:

LZKNVSNNPRQZJB-LMMQKCLSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)O
CACTVS 3.385	CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 2.0.7	CC(=O)NC(C(C(C(CO)O)O)O)C(=O)O
CACTVS 3.385	CC(=O)N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O

Name:

(2~{R},3~{R},4~{S},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoic acid;
2-(acetylamino)-2-deoxy-D-gluconic 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).