BioLiP

PDB

BioLiP

PDB CCD ID:

TOC

Number of entries in BioLiP:

Chemical formula:

C6 H16 N2 O3

InChI:

InChI=1S/C6H14N2O3/c7-2-5-4(9)1-3(8)6(10)11-5/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6+/m1/s1

InChIKey:

CEGXIUROHCNLCL-MOJAZDJTSA-P

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+]
OpenEye OEToolkits 1.5.0	C1C(C(OC(C1O)C[NH3+])O)[NH3+]
CACTVS 3.341	[NH3+]C[CH]1O[CH](O)[CH]([NH3+])C[CH]1O
CACTVS 3.341	[NH3+]C[C@H]1O[C@H](O)[C@H]([NH3+])C[C@@H]1O
ACDLabs 10.04	OC1C(OC(O)C([NH3+])C1)C[NH3+]

Name:

2,6-diammonio-2,3,6-trideoxy-alpha-D-glucopyranose;
2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE;
2,6-diammonio-2,3,6-trideoxy-alpha-D-glucose;
2,6-diammonio-2,3,6-trideoxy-D-glucose;
2,6-diammonio-2,3,6-trideoxy-glucose

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).