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BioLiP

PDB CCD ID: 14V
Number of entries in BioLiP: 2
Chemical formula: C20 H36 O4
InChI: InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)
InChIKey: DAKTXSDZCYKITO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O
ACDLabs 12.01O=C(CC(=O)CC(=O)O)CCCCCCCCCCCCCCC
Name:3,5-dioxoicosanoic acid
ZINC: ZINC000103521405
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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