BioLiP

PDB

BioLiP

PDB CCD ID:

0RJ

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O3

InChI:

InChI=1S/C4H8N2O3/c5-3(4(8)9)1-6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1

InChIKey:

VJGQHMAKHZCYRV-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C(C(=O)O)N)NC=O
CACTVS 3.370	N[C@@H](CNC=O)C(O)=O
ACDLabs 12.01	O=CNCC(N)C(=O)O
OpenEye OEToolkits 1.7.6	C([C@@H](C(=O)O)N)NC=O
CACTVS 3.370	N[CH](CNC=O)C(O)=O

Name:

3-(formylamino)-L-alanine

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).