BioLiP

PDB

BioLiP

PDB CCD ID:

S1N

Number of entries in BioLiP:

Chemical formula:

C10 H16 O2

InChI:

InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+

InChIKey:

AFKSPUYAXUNQPA-UXBLZVDNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(CCC=O)=CCCCC=O
CACTVS 3.385	C\C(CCC=O)=C/CCCC=O
OpenEye OEToolkits 2.0.7	CC(=CCCCC=O)CCC=O
OpenEye OEToolkits 2.0.7	C/C(=C\CCCC=O)/CCC=O

Name:

(~{E})-4-methylnon-4-enedial

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).