BioLiP

PDB

BioLiP

PDB CCD ID:

A0A

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O5

InChI:

InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1

InChIKey:

GWMBYHNCVMJVDI-VKHMYHEASA-N

SMILES:

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

Name:

(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID

ZINC:

ZINC000058626861

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).