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BioLiP

PDB CCD ID: 4I1
Number of entries in BioLiP: 7
Chemical formula: C18 H34 O2
InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChIKey: CNVZJPUDSLNTQU-SEYXRHQNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCC\C=C/CCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCC=CCCCCC(=O)O
CACTVS 3.385CCCCCCCCCCCC=CCCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCCC/C=C\CCCCC(=O)O
Name:Petroselinic acid
ChEMBL: CHEMBL3139878
ZINC: ZINC000008221028
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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