BioLiP

PDB

BioLiP

PDB CCD ID:

0FL

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O3

InChI:

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

InChIKey:

BOEOBKSOOCDYCH-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=CNC(C(=O)O)CN
OpenEye OEToolkits 1.7.0	C([C@@H](C(=O)O)NC=O)N
CACTVS 3.370	NC[CH](NC=O)C(O)=O
CACTVS 3.370	NC[C@H](NC=O)C(O)=O
OpenEye OEToolkits 1.7.0	C(C(C(=O)O)NC=O)N

Name:

3-amino-N-formyl-L-alanine

ZINC:

ZINC000098207800

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).