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BioLiP Library

PDB CCD ID: ZFR
Number of entries in BioLiP: 6
Chemical formula: C17 H24 O4
InChI: InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1
InChIKey: TVXRLKRGDWQGQV-MXPWBENCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
CACTVS 3.385C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c1
OpenEye OEToolkits 1.9.2CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O
CACTVS 3.385C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1
ACDLabs 12.01c1c(O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O
Name:(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
ZINC: ZINC000584905723
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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