BioLiP

PDB

BioLiP

PDB CCD ID:

GAD

Number of entries in BioLiP:

Chemical formula:

C6 H8 O5

InChI:

InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1

InChIKey:

GQECVRZDTXJRPX-IMJSIDKUSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH]1COC(=C[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O
CACTVS 3.341	O[C@H]1COC(=C[C@@H]1O)C(O)=O
ACDLabs 10.04	O=C(O)C=1OCC(O)C(O)C=1
OpenEye OEToolkits 1.5.0	C1C(C(C=C(O1)C(=O)O)O)O

Name:

2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid

DrugBank:

DB03284

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).