BioLiP

PDB

BioLiP

PDB CCD ID:

LIS

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O3

InChI:

InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1

InChIKey:

HKPCHCJYQVJLIZ-IMJSIDKUSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)CC1OC1
OpenEye OEToolkits 1.5.0	C1[C@@H](O1)C[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](C[CH]1CO1)C(O)=O
CACTVS 3.341	N[C@@H](C[C@H]1CO1)C(O)=O
OpenEye OEToolkits 1.5.0	C1C(O1)CC(C(=O)O)N

Name:

(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID;
3-OXIRAN-2YLALANINE

DrugBank:

DB03191

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).