BioLiP

PDB

BioLiP

PDB CCD ID:

GCD

Number of entries in BioLiP:

Chemical formula:

C6 H8 O6

InChI:

InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1

InChIKey:

IAKKJSVSFCTLRY-YKKSOZKNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1=C(OC(C(C1O)O)O)C(=O)O
CACTVS 3.370	O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
CACTVS 3.370	O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.6	C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O
ACDLabs 12.01	O=C(O)C=1OC(O)C(O)C(O)C=1

Name:

4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid;
4,5-DEHYDRO-D-GLUCURONIC ACID;
4-deoxy-alpha-L-threo-hex-4-enuronic acid;
4-deoxy-L-threo-hex-4-enuronic acid;
4-deoxy-threo-hex-4-enuronic acid

DrugBank:

DB02305

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).