BioLiP

PDB

BioLiP

PDB CCD ID:

KGH

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O5

InChI:

InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7+/m0/s1

InChIKey:

SWVTZDDSAFUTKS-BJUQCWQQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(C1O)O)O)O)N)O
OpenEye OEToolkits 2.0.7	C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O
CACTVS 3.385	N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CACTVS 3.385	N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO

Name:

(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

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).