BioLiP

PDB

BioLiP

PDB CCD ID:

B3T

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3

InChI:

InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m1/s1

InChIKey:

NIVRJEWVLMOZNV-QWWZWVQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@H]([C@@H](CC(=O)O)N)O
CACTVS 3.341	C[C@@H](O)[C@H](N)CC(O)=O
ACDLabs 10.04	O=C(O)CC(N)C(O)C
CACTVS 3.341	C[CH](O)[CH](N)CC(O)=O
OpenEye OEToolkits 1.5.0	CC(C(CC(=O)O)N)O

Name:

3-amino-2,3,5-trideoxy-D-threo-pentonic acid

ZINC:

ZINC000002386834

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).