BioLiP

PDB

BioLiP

PDB CCD ID:

GTK

Number of entries in BioLiP:

Chemical formula:

C6 H10 O7

InChI:

InChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m1/s1

InChIKey:

OEVWLAOZEALENB-ORELYVPDSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(O)C1OC(O)C(O)C1O
OpenEye OEToolkits 1.7.2	[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O
CACTVS 3.370	O[CH]1O[CH]([CH](O)[CH]1O)[CH](O)C(O)=O
CACTVS 3.370	O[C@@H]1O[C@H]([C@H](O)[C@H]1O)[C@H](O)C(O)=O
OpenEye OEToolkits 1.7.2	C1(C(C(OC1C(C(=O)O)O)O)O)O

Name:

beta-D-galactofuranuronic acid;
beta-D-galacturonic acid;
D-galacturonic acid;
galacturonic 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).