BioLiP

PDB

BioLiP

PDB CCD ID:

220

Number of entries in BioLiP:

Chemical formula:

C15 H20 O4

InChI:

InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2

InChIKey:

WRPMDTWVLJJHMV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O=CCCCC=C(CC\C=C(\CCC=O)C=O)C=O
CACTVS 3.341	O=CCCCC=C(CCC=C(CCC=O)C=O)C=O
OpenEye OEToolkits 1.5.0	C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O
ACDLabs 10.04	O=C\C(=C/CCCC=O)CC\C=C(\C=O)CCC=O

Name:

UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE

DrugBank:

DB06912

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).