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BioLiP

PDB CCD ID: FJP
Number of entries in BioLiP: 2
Chemical formula: C15 H27 O4 P
InChI: InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11+
InChIKey: ALEWCKXBHSDCCT-GNESMGCMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O
CACTVS 3.370CC(C)=CCCC(\C)=C/CCC(/C)=C/CO[P](O)(O)=O
ACDLabs 12.01O=P(OC/C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O
OpenEye OEToolkits 1.7.0CC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C
OpenEye OEToolkits 1.7.0CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C
Name:(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
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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