BioLiP

PDB

BioLiP

PDB CCD ID:

3QM

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O

InChI:

InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1

InChIKey:

JNWJQOCPCZKSQI-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](Cc1ccccc1)N=O
ACDLabs 12.01	O=NC(Cc1ccccc1)C
CACTVS 3.385 OpenEye OEToolkits 1.9.2	C[C@H](Cc1ccccc1)N=O
OpenEye OEToolkits 1.9.2	CC(Cc1ccccc1)N=O

Name:

[(2R)-2-nitrosopropyl]benzene;
2-nitroso-1-phenylpropane

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).