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BioLiP

PDB CCD ID: 5HE
Number of entries in BioLiP: 3
Chemical formula: C20 H30 O3
InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1
InChIKey: FTAGQROYQYQRHF-CBVHGRPESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O
ACDLabs 10.04O=C(O)CCCC(O)/C=C/C=C\C\C=C/C\C=C/C\C=C/CC
CACTVS 3.341CCC=CCC=CCC=CCC=CC=C[CH](O)CCCC(O)=O
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\C=C\[C@H](O)CCCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CC=CC(CCCC(=O)O)O
Name:(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
DrugBank: DB07172
ZINC: ZINC000008860440
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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