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BioLiP

PDB CCD ID: FV3
Number of entries in BioLiP: 8
Chemical formula: C18 H32 O3
InChI: InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m0/s1
InChIKey: VGIZXGYRSPTVQF-RNKQFFRGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO
CACTVS 3.385CC(C)=CCCC(/C)=C/CCC(/C)=C/COC[C@@H](O)CO
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C
Name:(2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
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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