BioLiP

PDB

BioLiP

PDB CCD ID:

H62

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O5

InChI:

InChI=1S/C7H13NO5/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h2-6,9-11H,1,8H2,(H,12,13)/t2-,3-,4+,5+,6+/m0/s1

InChIKey:

DNFVBIRHFDBCAW-HGVZOGFYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C(O)=O
OpenEye OEToolkits 2.0.6	C1C(C(C(C(C1O)O)O)C(=O)O)N
CACTVS 3.385	N[C@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.6	C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N

Name:

(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-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).