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BioLiP

PDB CCD ID: 6F8
Number of entries in BioLiP: 1
Chemical formula: C21 H32 O2
InChI: InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
InChIKey: RMTXUPIIESNLPW-UTOQUPLUSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O
OpenEye OEToolkits 2.0.4CCCC=CCC=CCCCCCCCc1cccc(c1O)O
CACTVS 3.385CCCC=CCC=CCCCCCCCc1cccc(O)c1O
OpenEye OEToolkits 2.0.4CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O
CACTVS 3.385CCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1O
Name:3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
ZINC: ZINC000017158175
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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