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BioLiP

PDB CCD ID: P8P
Number of entries in BioLiP: 1
Chemical formula: C19 H38 O11 P2
InChI: InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
InChIKey: MBDSUZSCJLRKPC-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC
ACDLabs 12.01O=P(O)(O)OP(=O)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)O
CACTVS 3.370CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.7.2CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC
CACTVS 3.370CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC
Name:(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate;
dioctanoylglycerol pyrophosphate
ChEMBL: CHEMBL191055
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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