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BioLiP

PDB CCD ID: EPA
Number of entries in BioLiP: 11
Chemical formula: C20 H30 O2
InChI: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey: JAZBEHYOTPTENJ-JLNKQSITSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCC=CCC=CCC=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCCC(O)=O
ACDLabs 10.04O=C(O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
Name:5,8,11,14,17-EICOSAPENTAENOIC ACID
ChEMBL: CHEMBL460026
DrugBank: DB00159
ZINC: ZINC000004474603
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)(download the PDF file).
  • 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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