BioLiP

PDB

BioLiP

PDB CCD ID:

6HN

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O4

InChI:

InChI=1S/C6H12N2O4/c7-5(6(9)10)3-1-2-4-8(11)12/h5H,1-4,7H2,(H,9,10)/t5-/m0/s1

InChIKey:

LMSAJWJHQUHKSX-YFKPBYRVSA-N

SMILES:

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

Name:

6-nitro-L-norleucine

ChEMBL:

CHEMBL1230498

ZINC:

ZINC000038235104

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).