BioLiP

PDB

BioLiP

PDB CCD ID:

DFU

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1

InChIKey:

VYOCYWDJTQRZLC-KCDKBNATSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	OC1C(NCC(O)C1O)C
CACTVS 3.341	C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O
OpenEye OEToolkits 1.5.0	CC1C(C(C(CN1)O)O)O
CACTVS 3.341	C[CH]1NC[CH](O)[CH](O)[CH]1O

Name:

(2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL;
DEOXYFUCONOJIRIMYCIN

ChEMBL:

CHEMBL314772

ZINC:

ZINC000002585424

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).