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BioLiP

PDB CCD ID: 7UT
Number of entries in BioLiP: 1
Chemical formula: C13 H26 O3
InChI: InChI=1S/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey: OGLQEYICTWWJQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 2.0.7COCCCCCCCCCCCC(=O)O
Name:12-methoxylauric acid;
12-methoxydodecanoic acid
ChEMBL: CHEMBL1606365
ZINC: ZINC000001641919
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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