BioLiP

PDB

BioLiP

PDB CCD ID:

MH9

Number of entries in BioLiP:

Chemical formula:

C12 H20 O2

InChI:

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+

InChIKey:

HQSBWLQFLLMPKC-BNFZFUHLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCCCCCCC=CC=CC(O)=O
OpenEye OEToolkits 1.7.0	CCCCCCCC=CC=CC(=O)O
OpenEye OEToolkits 1.7.0	CCCCCCC/C=C/C=C/C(=O)O
ACDLabs 12.01	O=C(O)\C=C\C=C\CCCCCCC
CACTVS 3.370	CCCCCCC/C=C/C=C/C(O)=O

Name:

(2E,4E)-DODECA-2,4-DIENOIC ACID

ZINC:

ZINC000002023009

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).