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BioLiP

PDB CCD ID: QNP
Number of entries in BioLiP: 12
Chemical formula: C26 H51 O8 P
InChI: InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1
InChIKey: GDXQVZUHVZYLSC-DEOSSOPVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)O
CACTVS 3.385CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)CO[P](O)(O)=O
ACDLabs 12.01CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O
CACTVS 3.385CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O
Name:(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
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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