BioLiP

PDB

BioLiP

PDB CCD ID:

TM9

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O6

InChI:

InChI=1S/C6H13NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-6,8-12H,7H2/t1-,2+,3-,4-,6-/m1/s1

InChIKey:

ZMSOBRHWUAXIKZ-PTPXTALPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	[C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N
CACTVS 3.370	N[CH]1[CH](O)O[CH](C(O)O)[CH](O)[CH]1O
CACTVS 3.370	N[C@H]1[C@H](O)O[C@@H](C(O)O)[C@H](O)[C@H]1O
ACDLabs 12.01	OC1C(O)C(OC(O)C1N)C(O)O
OpenEye OEToolkits 1.7.6	C1(C(C(C(OC1O)C(O)O)O)O)N

Name:

(2R,3R,4S,5R,6R)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol

ZINC:

ZINC000098209455

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).