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CHEBI:50303 - terpentedienyl diphosphate

Default Structure
ChEBI IDCHEBI:50303
ChEBI Nameterpentedienyl diphosphate
Stars
DefinitionThe O-diphospho derivative of terpentedienol.
Last Modified7 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H36O7P2
Net Charge0
Average Mass450.449
Monoisotopic Mass450.19363
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
InChIInChI=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
InChIKeyLKJRXYMJDDAXEN-LENLPTBCSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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