BioLiP

PDB

BioLiP

PDB CCD ID:

N65

Number of entries in BioLiP:

Chemical formula:

C11 H22 N2 O2

InChI:

InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1

InChIKey:

OPJYFGJKMVLUDU-YWEFTTLKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCC(C)=NCCCC[CH](N)C(O)=O
CACTVS 3.385	CCCC(C)=NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7	CCCC(=NCCCCC(C(=O)O)N)C
OpenEye OEToolkits 2.0.7	CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C

Name:

(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal

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).