BioLiP

PDB

BioLiP

PDB CCD ID:

DNP

Number of entries in BioLiP:

Chemical formula:

C3 H9 N2 O2

InChI:

InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+1/t2-/m0/s1

InChIKey:

PECYZEOJVXMISF-REOHCLBHSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)[NH3+]
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)N)[NH3+]
CACTVS 3.341	N[C@@H](C[NH3+])C(O)=O
CACTVS 3.341	N[CH](C[NH3+])C(O)=O
ACDLabs 10.04	O=C(O)C(N)C[NH3+]

Name:

3-AMINO-ALANINE

DrugBank:

DB03320

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).