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BioLiP

PDB CCD ID: 08O
Number of entries in BioLiP: 1
Chemical formula: C22 H42 O2
InChI: InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
InChIKey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
CACTVS 3.385CCCCCCCCC=CCCCCCCCCCCCC(O)=O
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCC=CCCCCCCCCCCCC(=O)O
Name:(Z)-docos-13-enoic acid
ChEMBL: CHEMBL1173380
ZINC: ZINC000008220981
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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