CHEBI:50303 - terpentedienyl diphosphate

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ChEBI Name terpentedienyl diphosphate
ChEBI ID CHEBI:50303
Definition The O-diphospho derivative of terpentedienol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H36O7P2
Net Charge 0
Average Mass 450.44316
Monoisotopic Mass 450.19363
InChI InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,19-,20-/m1/s1
InChIKey LKJRXYMJDDAXEN-LENLPTBCSA-N
SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@@H](C)[C@@]2(C)CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
ChEBI Ontology
Outgoing terpentedienyl diphosphate (CHEBI:50303) has parent hydride terpentetriene (CHEBI:50302)
terpentedienyl diphosphate (CHEBI:50303) is a diterpenyl phosphate (CHEBI:36772)
terpentedienyl diphosphate (CHEBI:50303) is a octahydronaphthalenes (CHEBI:138397)
terpentedienyl diphosphate (CHEBI:50303) is conjugate acid of terpentedienyl diphosphate(3−) (CHEBI:58821)
Incoming terpentedienyl diphosphate(3−) (CHEBI:58821) is conjugate base of terpentedienyl diphosphate (CHEBI:50303)
IUPAC Name
(2E)-3-methyl-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Last Modified
07 September 2017