BioLiP

PDB

BioLiP

PDB CCD ID:

R0M

Number of entries in BioLiP:

Chemical formula:

C7 H10 O2

InChI:

InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+

InChIKey:

GYTGOLDQGRPDNF-VNKDHWASSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC=CC=CC(=O)O
CACTVS 3.385	CC/C=C/C=C/C(O)=O
OpenEye OEToolkits 2.0.7	CC/C=C/C=C/C(=O)O
CACTVS 3.385	CCC=CC=CC(O)=O
ACDLabs 12.01	[C@H](\C=C\CC)=[C@H]C(=O)O

Name:

(2E,4E)-hepta-2,4-dienoic acid

ZINC:

ZINC000002018107

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).