BioLiP

PDB

BioLiP

PDB CCD ID:

ILR

Number of entries in BioLiP:

Chemical formula:

C13 H21 N O2

InChI:

InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1

InChIKey:

NFGZUBPFTHPCRY-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=NCCCC12CCCCC23OCCO3
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=NCCC[C@]12CCCCC23OCCO3
CACTVS 3.385	CC1=NCCC[C]12CCCCC23OCCO3

Name:

Spiroimine (+)-4 R;
(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene;
(R)-(+)-Spiroimine

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).