EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42547 - S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE

Default Structure
ChEBI IDCHEBI:42547
ChEBI NameS-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC15H28O6P2S
Net Charge0
Average Mass398.398
Monoisotopic Mass398.10818
SMILES[H]OP(=O)(O[H])O[P@](=O)(O[H])SC([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11-
InChIKeyMYMLCRQRXFRQGP-PVMFERMNSA-N
ChEBI Ontology
Outgoing Relation(s)
S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE (CHEBI:42547) is a unclassifieds (CHEBI:27189)
Synonyms  Source
S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphatePDBeChem
S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATEPDBeChem
Manual XrefsDatabases
FPSPDBeChem