BioLiP

PDB

BioLiP

PDB CCD ID:

K5B

Number of entries in BioLiP:

Chemical formula:

C8 H12 O7

InChI:

InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1

InChIKey:

HVHHMEMCULPBED-BDVNFPICSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O
CACTVS 3.385	OC[C@H]1O[C@@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6	C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O
CACTVS 3.385	OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O

Name:

4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid;
4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic 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).