BioLiP

PDB

BioLiP

PDB CCD ID:

TGR

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

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

InChIKey:

ZCEUQVBSRPIKHS-FSIIMWSLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](O)[C@]1(O)OC[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2	C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O
CACTVS 3.385	C[CH](O)[C]1(O)OC[CH](O)[CH]1O
ACDLabs 12.01	CC(C1(OCC(C1O)O)O)O
OpenEye OEToolkits 1.9.2	CC(C1(C(C(CO1)O)O)O)O

Name:

1-deoxy-alpha-D-xylo-hex-3-ulofuranose;
1-deoxy 3-keto D-galactitol(Furanose form);
1-deoxy-alpha-D-xylo-hex-3-ulose;
1-deoxy-D-xylo-hex-3-ulose;
1-deoxy-xylo-hex-3-ulose

ZINC:

ZINC000584905769

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).