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BioLiP

PDB CCD ID: ARC
Number of entries in BioLiP: 14
Chemical formula: C20 H42 O
InChI: InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20-/m0/s1
InChIKey: AJAKLDUGVSKVDG-UFYCRDLUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO
ACDLabs 10.04OCCC(CCCC(CCCC(C)CCCC(C)C)C)C
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO
Name:3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL
DrugBank: DB01637
ZINC: ZINC000005962605
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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