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BioLiP Library

PDB CCD ID: 9GE
Number of entries in BioLiP: 0
Chemical formula: C15 H28 O2
InChI: InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h11,13-14H,3-10,12H2,1-2H3,(H,16,17)/b13-11+
InChIKey: HNGBGNIRFVZXOQ-ACCUITESSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)CCCCCCCCC\C=C\C(O)=O
OpenEye OEToolkits 2.0.6CC(C)CCCCCCCCC/C=C/C(=O)O
CACTVS 3.385CC(C)CCCCCCCCCC=CC(O)=O
OpenEye OEToolkits 2.0.6CC(C)CCCCCCCCCC=CC(=O)O
Name:(~{E})-13-methyltetradec-2-enoic acid
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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