BioLiP

PDB

BioLiP

PDB CCD ID:

A1LXB

Number of entries in BioLiP:

Chemical formula:

C6 H8 O5

InChI:

InChI=1S/C6H8O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3,10H,2H2,1H3,(H,8,9)/t3-,6-/m0/s1

InChIKey:

RVGZVGXMALCWOM-DZSWIPIPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H]1C(=O)C[C@](O1)(C(=O)O)O
OpenEye OEToolkits 2.0.7	CC1C(=O)CC(O1)(C(=O)O)O
CACTVS 3.385	C[CH]1O[C](O)(CC1=O)C(O)=O
CACTVS 3.385	C[C@@H]1O[C@@](O)(CC1=O)C(O)=O

Name:

L-2,4-diketo-3-deoxyfuconate;
(2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic 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).