BioLiP

PDB

BioLiP

PDB CCD ID:

Z6G

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O3

InChI:

InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/p+1/t3-,4-,5+,6-/m0/s1

InChIKey:

BBMKQGIZNKEDOX-AZGQCCRYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1C(C(CC(O1)O)[NH3+])O
OpenEye OEToolkits 1.7.6	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)[NH3+])O
CACTVS 3.370	C[CH]1O[CH](O)C[CH]([NH3+])[CH]1O
CACTVS 3.370	C[C@@H]1O[C@@H](O)C[C@H]([NH3+])[C@H]1O
ACDLabs 12.01	OC1C(OC(O)CC1[NH3+])C

Name:

3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose

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).