BioLiP

PDB

BioLiP

PDB CCD ID:

TGS

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1

InChIKey:

UCLAXLMTPFNPGE-RPDRRWSUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O
ACDLabs 12.01	CC(O)C(C(C(CO)O)O)=O
CACTVS 3.385	C[CH](O)C(=O)[CH](O)[CH](O)CO
CACTVS 3.385	C[C@H](O)C(=O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.9.2	CC(C(=O)C(C(CO)O)O)O

Name:

1-deoxy-D-xylo-hex-3-ulose;
1-deoxy 3-keto-D-galactitol

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).