BioLiP

PDB

BioLiP

PDB CCD ID:

9OD

Number of entries in BioLiP:

Chemical formula:

C10 H16 O3

InChI:

InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-

InChIKey:

INJRDZMWIAYEMM-VURMDHGXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)CCCCC\C=C/C(=O)O
CACTVS 3.341	CC(=O)CCCCCC=CC(O)=O
ACDLabs 10.04	O=C(C)CCCCC/C=C\C(=O)O
CACTVS 3.341	CC(=O)CCCCC\C=C/C(O)=O
OpenEye OEToolkits 1.5.0	CC(=O)CCCCCC=CC(=O)O

Name:

(2Z)-9-oxodec-2-enoic acid;
9-keto-2(E)-decenoic 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).