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CHEBI:84599 - all-trans-dodecaprenyl diphosphate

ChEBI IDCHEBI:84599
ChEBI Nameall-trans-dodecaprenyl diphosphate
Stars
ASCII Nameall-trans-dodecaprenyl diphosphate
DefinitionAn all-trans-polyprenyl diphosphate composed from twelve isoprenyl units.
Last Modified8 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC60H100O7P2
Net Charge0
Average Mass995.401
Monoisotopic Mass994.69443
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/COP(=O)(O)OP(=O)(O)O
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)/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+
InChIKeyWURMRKUXTPWSRM-GNZYJLLNSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
all-trans-dodecaprenyl diphosphate (CHEBI:84599) has role human metabolite (CHEBI:77746)
all-trans-dodecaprenyl diphosphate (CHEBI:84599) is a all-trans-polyprenyl diphosphate (CHEBI:55337)
all-trans-dodecaprenyl diphosphate (CHEBI:84599) is conjugate acid of all-trans-dodecaprenyl diphosphate(3−) (CHEBI:84602)
Incoming Relation(s)
all-trans-dodecaprenyl diphosphate(3−) (CHEBI:84602) is conjugate base of all-trans-dodecaprenyl diphosphate (CHEBI:84599)
IUPAC Name 
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-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
Synonym  Source
all-trans-dodecaprenyl pyrophosphateChEBI
Manual XrefsDatabases
CPD-9650MetaCyc
HMDB0012217HMDB