BioLiP

PDB

BioLiP

PDB CCD ID:

ORQ

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O3

InChI:

InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

InChIKey:

SRXKAYJJGAAOBP-LURJTMIESA-N

SMILES:

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

Name:

N~5~-ACETYL-L-ORNITHINE

ZINC:

ZINC000003650287

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).