BioLiP

PDB

BioLiP

PDB CCD ID:

FA7

Number of entries in BioLiP:

Chemical formula:

C9 H14 O2

InChI:

InChI=1S/C9H14O2/c1-8(2)6-4-3-5-7-9(10)11/h3-5,7-8H,6H2,1-2H3,(H,10,11)/b4-3+,7-5-

InChIKey:

ZPJFGJWTSDWBST-BZDQXIRASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(C)CC=CC=CC(=O)O
OpenEye OEToolkits 1.6.1	CC(C)C\C=C\C=C/C(=O)O
ACDLabs 10.04	O=C(O)/C=C\C=C\CC(C)C
CACTVS 3.352	CC(C)CC=CC=CC(O)=O
CACTVS 3.352	CC(C)C\C=C\C=C/C(O)=O

Name:

(2Z,4E)-7-methylocta-2,4-dienoic acid

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).