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CHEBI:58821 - terpentedienyl diphosphate(3−)

Default Structure
ChEBI IDCHEBI:58821
ChEBI Nameterpentedienyl diphosphate(3−)
Stars
ASCII Nameterpentedienyl diphosphate(3-)
DefinitionTrianion of terpentedienyl diphosphate.
Last Modified12 August 2015
DownloadsMolfile
FormulaC20H33O7P2
Net Charge-3
Average Mass447.425
Monoisotopic Mass447.17180
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)/p-3/b15-11+/t17-,18+,19-,20-/m1/s1
InChIKeyLKJRXYMJDDAXEN-LENLPTBCSA-K
ChEBI Ontology
Outgoing Relation(s)
terpentedienyl diphosphate(3−) (CHEBI:58821) is a organophosphate oxoanion (CHEBI:58945)
terpentedienyl diphosphate(3−) (CHEBI:58821) is conjugate base of terpentedienyl diphosphate (CHEBI:50303)
Incoming Relation(s)
terpentedienyl diphosphate (CHEBI:50303) is conjugate acid of terpentedienyl diphosphate(3−) (CHEBI:58821)
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 diphosphate
Synonym  Source
(2E)-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl (phosphonatooxy)phosphonateChEBI
UniProt Name  Source
terpentedienyl diphosphateUniProt