BioLiP

PDB

BioLiP

PDB CCD ID:

02Y

Number of entries in BioLiP:

Chemical formula:

C6 H10 N3 O3

InChI:

InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2/p+1/t5-/m0/s1

InChIKey:

UUTYCZUIECRVAL-YFKPBYRVSA-O

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](CCC(=O)C[N+]#N)C(O)=O
CACTVS 3.370	N[C@@H](CCC(=O)C[N+]#N)C(O)=O
OpenEye OEToolkits 1.7.2	C(CC(=O)C[N+]#N)C(C(=O)O)N
ACDLabs 12.01	O=C(CCC(N)C(=O)O)C[N+]#N
OpenEye OEToolkits 1.7.2	C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N

Name:

6-diazonio-5-oxo-L-norleucine

ZINC:

ZINC000003869359

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).