BioLiP

PDB

BioLiP

PDB CCD ID:

FIX

Number of entries in BioLiP:

Chemical formula:

C6 H8 O7

InChI:

InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1,3-5,9-11H,(H,12,13)/t3-,4+,5+/m1/s1

InChIKey:

VLFFNIKCNGLGIG-WISUUJSJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(=O)C(=O)C(C(C(C(=O)O)O)O)O
CACTVS 3.341	O[C@H]([C@H](O)C(O)=O)[C@H](O)C(=O)C=O
ACDLabs 10.04	O=C(O)C(O)C(O)C(O)C(=O)C=O
OpenEye OEToolkits 1.5.0	C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O
CACTVS 3.341	O[CH]([CH](O)C(O)=O)[CH](O)C(=O)C=O

Name:

D-fructuronic acid;
D-Fructuronate

ZINC:

ZINC000103541511

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).