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BioLiP

PDB CCD ID: M12
Number of entries in BioLiP: 4
Chemical formula: C12 H24 O2
InChI: InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
InChIKey: QJRRBVNPIKYRQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(C)CCCCCCCCC(=O)O
CACTVS 3.352CC(C)CCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCCCC(C)C
Name:10-METHYLUNDECANOIC ACID
ZINC: ZINC000001841074
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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