BioLiP

PDB

BioLiP

PDB CCD ID:

I2G

Number of entries in BioLiP:

Chemical formula:

C12 H20 O2

InChI:

InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m0/s1

InChIKey:

DZXNZBWYVLLUAX-IVONAZQTSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCC[CH](C)C=C(C)C=CC(O)=O
OpenEye OEToolkits 2.0.7	CCCC[C@H](C)/C=C(\C)/C=C/C(=O)O
OpenEye OEToolkits 2.0.7	CCCCC(C)C=C(C)C=CC(=O)O
CACTVS 3.385	CCCC[C@H](C)\C=C(C)\C=C\C(O)=O

Name:

(2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid

ChEMBL:

CHEMBL4454078

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).