BioLiP

PDB

BioLiP

PDB CCD ID:

NED

Number of entries in BioLiP:

Chemical formula:

C6 H16 N2 O4

InChI:

InChI=1/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5+,6-/m0/s1/fC6H16N2O4/h7-8H/q+2

InChIKey:

SQTHUUHOUPJYLK-QFMCUJGMDC

SMILES:

Software	SMILES
CACTVS 3.341	[NH3+]C[CH]1O[CH](O)[CH]([NH3+])[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)[NH3+]
CACTVS 3.341	[NH3+]C[C@@H]1O[C@H](O)[C@H]([NH3+])[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)[NH3+])O)O)[NH3+]
ACDLabs 10.04	OC1C(O)C(OC(O)C1[NH3+])C[NH3+]

Name:

2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE

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).