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BioLiP

PDB CCD ID: 4R8
Number of entries in BioLiP: 1
Chemical formula: C22 H32 O3
InChI: InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,17-16+
InChIKey: MTWLPOVQRMKOLI-IIFHDYRKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(O)=O
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\CC\C=C\CC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(=O)O
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O
ACDLabs 10.04O=C(C/C=C/CC\C=C/C\C=C/C\C=C/C\C=C/CC)CCC(=O)O
Name:(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid;
4-OXODOCOSAHEXAENOIC ACID
ZINC: ZINC000038994179
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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