BioLiP

PDB

BioLiP

PDB CCD ID:

GE1

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2

InChI:

InChI=1S/C6H14N2O2/c7-3-4-1-2-5(8)6(9)10-4/h4-6,9H,1-3,7-8H2/t4-,5+,6-/m0/s1

InChIKey:

FGFITZOBEYBNGG-JKUQZMGJSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC[C@@H]1CC[C@@H](N)[C@@H](O)O1
CACTVS 3.341	NC[CH]1CC[CH](N)[CH](O)O1
ACDLabs 10.04	OC1OC(CN)CCC1N
OpenEye OEToolkits 1.5.0	C1C[C@H]([C@H](O[C@@H]1CN)O)N
OpenEye OEToolkits 1.5.0	C1CC(C(OC1CN)O)N

Name:

2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose;
3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSE;
2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexose;
2,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexose;
2,6-diamino-2,3,4,6-tetradeoxy-erythro-hexose

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).