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BioLiP

PDB CCD ID: UIT
Number of entries in BioLiP: 1
Chemical formula: C8 H16 O3
InChI: InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
InChIKey: JKRDADVRIYVCCY-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCC[CH](O)C(O)=O
CACTVS 3.385CCCCCC[C@@H](O)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC(C(=O)O)O
OpenEye OEToolkits 2.0.7CCCCCC[C@H](C(=O)O)O
Name:(2R)-2-oxidanyloctanoic acid
ZINC: ZINC000002146644
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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