BioLiP

PDB

BioLiP

PDB CCD ID:

A1H5T

Number of entries in BioLiP:

Chemical formula:

C12 H22 O3

InChI:

InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15)/b8-7-/t11-/m1/s1

InChIKey:

GZUALOWLHSCENG-SKVAFPRGSA-N

SMILES:

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

Name:

(~{Z},3~{R})-3-oxidanyldodec-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).