BioLiP

PDB

BioLiP

PDB CCD ID:

IFG

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O4

InChI:

InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m1/s1

InChIKey:

IWVRQJNSUOIUFV-VGRMVHKJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(CN1)CO)O)O
ACDLabs 10.04	O=C(NC1NCC(CO)C(O)C1O)C
CACTVS 3.341	CC(=O)N[C@H]1NC[C@H](CO)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O
CACTVS 3.341	CC(=O)N[CH]1NC[CH](CO)[CH](O)[CH]1O

Name:

(2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE

DrugBank:

DB03861

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).