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BioLiP

PDB CCD ID: 4TD
Number of entries in BioLiP: 2
Chemical formula: C17 H36 O8
InChI: InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1
InChIKey: GXEZGLLPFFKHGE-YHUYYLMFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O
OpenEye OEToolkits 1.7.6C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O
CACTVS 3.385C[C@H](O)COC[C@](COC[C@H](C)O)(COC[C@H](C)O)COC[C@@H](C)O
ACDLabs 12.01O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
CACTVS 3.385C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O
Name:(2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol;
tetraerythritol propoxylate
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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