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BioLiP

PDB CCD ID: 38A
Number of entries in BioLiP: 2
Chemical formula: C12 H18 O3
InChI: InChI=1S/C12H18O3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h13-15H,4-6H2,1-3H3
InChIKey: RZPWWYFQBDXLBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1c(c(c(c(c1CO)C)CO)C)CO
CACTVS 3.385Cc1c(CO)c(C)c(CO)c(C)c1CO
ACDLabs 12.01OCc1c(c(c(c(c1C)CO)C)CO)C
Name:(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol
ZINC: ZINC000030836071
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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