BioLiP

PDB

BioLiP

PDB CCD ID:

YHO

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3

InChI:

InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1

InChIKey:

UUKWSEIZIMUXPU-LECHCGJUSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
CACTVS 3.341	N[CH]1C[CH](O)[CH](O)[CH]1O
ACDLabs 10.04	OC1CC(N)C(O)C1O
OpenEye OEToolkits 1.5.0	C1C(C(C(C1O)O)O)N
OpenEye OEToolkits 1.5.0	C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N

Name:

(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol

ChEMBL:

CHEMBL268037

ZINC:

ZINC000026000076

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).