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BioLiP

PDB CCD ID: 0IL
Number of entries in BioLiP: 4
Chemical formula: C28 H54 O4
InChI: InChI=1S/C28H54O4/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(31)32-26(25-27(29)30)23-21-19-17-15-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m1/s1
InChIKey: IYESSKQVAKTOQB-AREMUKBSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O
CACTVS 3.370CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O
CACTVS 3.370CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(O)=O
ACDLabs 12.01O=C(O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC
Name:(3R)-3-(tetradecanoyloxy)tetradecanoic acid
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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