BioLiP

PDB

BioLiP

PDB CCD ID:

LOX

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O4

InChI:

InChI=1S/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m1/s1

InChIKey:

JDBSITHMKSTORG-FLRLBIABSA-N

SMILES:

Software	SMILES
CACTVS 3.341	ON=C1NC[CH](O)[CH](O)[CH]1O
CACTVS 3.341	O/N=C/1NC[C@@H](O)[C@H](O)[C@H]/1O
OpenEye OEToolkits 1.5.0	C1C(C(C(C(=NO)N1)O)O)O
ACDLabs 10.04	OC1C(=N\O)\NCC(O)C1O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O

Name:

(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol;
3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME

DrugBank:

DB01921

ZINC:

ZINC000036766387

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).