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BioLiP

PDB CCD ID: 2IL
Number of entries in BioLiP: 9
Chemical formula: C26 H50 O4
InChI: InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(23-25(27)28)30-26(29)22-20-18-16-14-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H,27,28)/t24-/m1/s1
InChIKey: IKRFTYQBIVDIMM-XMMPIXPASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCC[C@H](CC(O)=O)OC(=O)CCCCCCCCCCC
ACDLabs 12.01O=C(O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC
Name:(3R)-3-(dodecanoyloxy)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)(download the PDF file).
  • 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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