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BioLiP

PDB CCD ID: ITY
Number of entries in BioLiP: 2
Chemical formula: C20 H24 O2
InChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKey: MGLDCXPLYOWQRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
CACTVS 3.385CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
Name:icosa-5,8,11,14-tetraynoic acid;
5,8,11,14-eicosatetraynoic acid
ChEMBL: CHEMBL458328
ZINC: ZINC000003871082
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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