BioLiP

PDB

BioLiP

PDB CCD ID:

A1IRB

Number of entries in BioLiP:

Chemical formula:

C12 H22 O2

InChI:

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+

InChIKey:

IJBFSOLHRKELLR-BQYQJAHWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCC/C=C/CCCC(=O)O
OpenEye OEToolkits 2.0.7	CCCCCCC=CCCCC(=O)O
CACTVS 3.385	CCCCCCC=CCCCC(O)=O
CACTVS 3.385	CCCCCC\C=C\CCCC(O)=O

Name:

cis-5-dodecenoic acid;
(~{E})-dodec-5-enoic 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).