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BioLiP

PDB CCD ID: TDA
Number of entries in BioLiP: 10
Chemical formula: C13 H26 O2
InChI: InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey: SZHOJFHSIKHZHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC(=O)O
CACTVS 3.341CCCCCCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCCCCCCC
Name:N-TRIDECANOIC ACID
ChEMBL: CHEMBL107874
DrugBank: DB02448
ZINC: ZINC000001628119
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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