BioLiP

PDB

BioLiP

PDB CCD ID:

TY6

Number of entries in BioLiP:

Chemical formula:

C6 H15 N3 O5

InChI:

InChI=1S/C6H15N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,8-13H,1,7H2/t2-,3+,4-,5+,6-/m0/s1

InChIKey:

HEZRRHKWEZVWNK-ZSNZIGRDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)O)O)NNN
OpenEye OEToolkits 2.0.7	C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)NNN
CACTVS 3.385	NNNC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385	NNNC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Name:

(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-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).