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CHEBI:53040 - tridecaprenyl diphosphate

ChEBI IDCHEBI:53040
ChEBI Nametridecaprenyl diphosphate
Stars
DefinitionA polyprenol diphosphate compound having thirteen prenyl units with undefined stereochemistry about the double bonds.
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC65H108O7P2
Net Charge0
Average Mass1063.520
Monoisotopic Mass1062.75703
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])CCC(C)=C([H])COP(=O)(O)OP(=O)(O)O)=C(C)CCC=C(C)C
InChIInChI=1S/C65H108O7P2/c1-53(2)27-15-28-54(3)29-16-30-55(4)31-17-32-56(5)33-18-34-57(6)35-19-36-58(7)37-20-38-59(8)39-21-40-60(9)41-22-42-61(10)43-23-44-62(11)45-24-46-63(12)47-25-48-64(13)49-26-50-65(14)51-52-71-74(69,70)72-73(66,67)68/h27,29,31,33,35,37,39,41,43,45,47,49,51H,15-26,28,30,32,34,36,38,40,42,44,46,48,50,52H2,1-14H3,(H,69,70)(H2,66,67,68)
InChIKeyDZNALTJEOIIEJL-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)
tridecaprenyl diphosphate (CHEBI:53040) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
tridecaprenyl diphosphate (CHEBI:53040) is a polyprenyl diphosphate (CHEBI:37531)
Incoming Relation(s)
ditrans,polycis-tridecaprenyl diphosphate (CHEBI:60460) is a tridecaprenyl diphosphate (CHEBI:53040)
IUPAC Name 
3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-yl trihydrogen diphosphate