BioLiP

PDB

BioLiP

PDB CCD ID:

F8F

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O6

InChI:

InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1

InChIKey:

CRIPFXSBMSGPKB-WAXACMCWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.7	[C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N
CACTVS 3.385	N[C@@H]1[C@@H](O)O[C@@H]([C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7	C1(C(C(C(OC1O)C(=O)O)O)O)N

Name:

(2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

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).