BioLiP

PDB

BioLiP

PDB CCD ID:

SUO

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O5

InChI:

InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1

InChIKey:

VWXQFHJBQHTHMK-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
CACTVS 3.341	NCCC[CH](NC(=O)CCC(O)=O)C(O)=O
ACDLabs 10.04	O=C(NC(C(=O)O)CCCN)CCC(=O)O
OpenEye OEToolkits 1.5.0	C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN

Name:

N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE;
N~2~-SUCCINYLORNITHINE

DrugBank:

DB03582

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).