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CHEBI:53041 - dodecaprenyl diphosphate

ChEBI IDCHEBI:53041
ChEBI Namedodecaprenyl diphosphate
Stars
DefinitionA polyprenol diphosphate compound having twelve prenyl units with undefined stereochemistry about the double bonds.
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC60H100O7P2
Net Charge0
Average Mass995.401
Monoisotopic Mass994.69443
SMILES[H]C(CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])COP(=O)(O)OP(=O)(O)O)=C(C)CCC=C(C)C
InChIInChI=1S/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)
InChIKeyWURMRKUXTPWSRM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
dodecaprenyl diphosphate (CHEBI:53041) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
dodecaprenyl diphosphate (CHEBI:53041) is a polyprenyl diphosphate (CHEBI:37531)
Incoming Relation(s)
ditrans,polycis-dodecaprenyl diphosphate (CHEBI:60461) is a dodecaprenyl diphosphate (CHEBI:53041)
IUPAC Name 
3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-yl trihydrogen diphosphate