BioLiP

PDB

BioLiP

PDB CCD ID:

A5N

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O5

InChI:

InChI=1S/C5H8N2O5/c6-2(4(8)9)1-3(7)12-5(10)11/h2,7H,1,6H2,(H,8,9)(H,10,11)/b7-3+/t2-/m0/s1

InChIKey:

CBFIQFJPESIKON-PYTJRISJSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[C@@H](CC(=N)OC(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1	[H]N=C(CC(C(=O)O)N)OC(=O)O
ACDLabs 10.04	O=C(O)C(N)CC(=[N@H])OC(=O)O
CACTVS 3.352	N[CH](CC(=N)OC(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1	[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O

Name:

O-carboxy-4-imino-L-homoserine

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).