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BioLiP

PDB CCD ID: 7HW
Number of entries in BioLiP: 4
Chemical formula: C22 H34 O4
InChI: InChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7?,10-8-,15-13-,16-14-/t20-,21-/m1/s1
InChIKey: FFXKPSNQCPNORO-KVZKRMIJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCC=CCCC(O)=O
ACDLabs 12.01CCC(C(O)C[C@H]=CC/C=C\C[C@H]=[C@H]C[C@H]=[C@H]C[C@H]=CCCC(=O)O)O
CACTVS 3.385CC[C@@H](O)[C@H](O)C\C=C/C/C=C\C\C=C/C\C=C/C\C=C/CCC(O)=O
OpenEye OEToolkits 2.0.6CCC(C(CC=CCC=CCC=CCC=CCC=CCCC(=O)O)O)O
OpenEye OEToolkits 2.0.6CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O
Name:(4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid
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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