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CHEBI:84600 - all-trans-tridecaprenyl diphosphate

Default Structure
ChEBI IDCHEBI:84600
ChEBI Nameall-trans-tridecaprenyl diphosphate
Stars
ASCII Nameall-trans-tridecaprenyl diphosphate
DefinitionAn all-trans-polyprenyl diphosphate composed from thirteen isoprenyl units.
Last Modified8 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC65H108O7P2
Net Charge0
Average Mass1063.520
Monoisotopic Mass1062.75703
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O
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)/b54-29+,55-31+,56-33+,57-35+,58-37+,59-39+,60-41+,61-43+,62-45+,63-47+,64-49+,65-51+
InChIKeyDZNALTJEOIIEJL-IBZXXNHPSA-N
ChEBI Ontology
Outgoing Relation(s)
all-trans-tridecaprenyl diphosphate (CHEBI:84600) is a all-trans-polyprenyl diphosphate (CHEBI:55337)
all-trans-tridecaprenyl diphosphate (CHEBI:84600) is conjugate acid of all-trans-tridecaprenyl diphosphate(3−) (CHEBI:84603)
Incoming Relation(s)
all-trans-tridecaprenyl diphosphate(3−) (CHEBI:84603) is conjugate base of all-trans-tridecaprenyl diphosphate (CHEBI:84600)
IUPAC Name 
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E)-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
Synonyms  Source
all-trans-tridecaprenyl pyrophosphateChEBI
tridecaprenyl diphosphateMetaCyc
Manual XrefsDatabases
CPD-9972MetaCyc