BioLiP

PDB

BioLiP

PDB CCD ID:

C5S

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O5

InChI:

InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1

InChIKey:

MQUUQXIFCBBFDP-GSVOUGTGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C[C@@H](NC=O)C(O)=O
ACDLabs 12.01	C(C(=O)O)C(C(O)=O)NC=O
OpenEye OEToolkits 2.0.6	C([C@H](C(=O)O)NC=O)C(=O)O
OpenEye OEToolkits 2.0.6	C(C(C(=O)O)NC=O)C(=O)O
CACTVS 3.385	OC(=O)C[CH](NC=O)C(O)=O

Name:

N-formyl-D-aspartic acid

ZINC:

ZINC000004544818

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).