EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45332 - PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER

Default Structure
ChEBI IDCHEBI:45332
ChEBI NamePHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H31O7P
Net Charge0
Average Mass390.413
Monoisotopic Mass390.18074
SMILES[H]OC([H])([H])C([H])([H])OC1([H])C([H])([H])C([H])([H])C(=C([H])C([H])=C2C([H])([H])C([H])([H])C([H])(OC([H])([H])C([H])([H])OP(=O)(O[H])O[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m0/s1
InChIKeyOZTBGMTXOWWCDF-NUUWZNJGSA-N
ChEBI Ontology
Outgoing Relation(s)
PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER (CHEBI:45332) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphatePDBeChem
PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTERPDBeChem
Manual XrefsDatabases
S02PDBeChem