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BioLiP

PDB CCD ID: Z6X
Number of entries in BioLiP: 2
Chemical formula: C14 H26 O3
InChI: InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
InChIKey: XLKOZYOVXNPWGT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(CCCCCCCCCCC)CC(=O)O
CACTVS 3.370CCCCCCCCCCCC(=O)CC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(=O)CC(=O)O
Name:3-oxotetradecanoic acid
ZINC: ZINC000032838976
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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