BioLiP

PDB

BioLiP

PDB CCD ID:

IDG

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O4

InChI:

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

InChIKey:

SQTHUUHOUPJYLK-BSQWINAVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N
CACTVS 3.341	NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)N)O)O)N
CACTVS 3.341	NC[C@@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1N)CN

Name:

2,6-diamino-2,6-dideoxy-beta-L-idopyranose;
O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE;
2,6-diamino-2,6-dideoxy-beta-L-idose;
2,6-diamino-2,6-dideoxy-L-idose;
2,6-diamino-2,6-dideoxy-idose

ZINC:

ZINC000005830452

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).