EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111523 - validone 7-phosphate(2−)

Default Structure
ChEBI IDCHEBI:111523
ChEBI Namevalidone 7-phosphate(2−)
Stars
ASCII Namevalidone 7-phosphate(2-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of validone 7-phosphate; major species at pH 7.3.
Last Modified18 May 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H11O8P
Net Charge-2
Average Mass254.131
Monoisotopic Mass254.02025
SMILESO=C1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3,5-7,9-11H,1-2H2,(H2,12,13,14)/p-2/t3-,5-,6+,7+/m1/s1
InChIKeyTWEGOAYSXFKLRS-UMWONPOSSA-L
ChEBI Ontology
Outgoing Relation(s)
validone 7-phosphate(2−) (CHEBI:111523) is a organophosphate oxoanion (CHEBI:58945)
validone 7-phosphate(2−) (CHEBI:111523) is conjugate base of validone 7-phosphate (CHEBI:131949)
Incoming Relation(s)
validone 7-phosphate (CHEBI:131949) is conjugate acid of validone 7-phosphate(2−) (CHEBI:111523)
IUPAC Name 
[(1R,2R,3S,4R)-2,3,4-trihydroxy-5-oxocyclohexyl]methyl phosphate
UniProt Name  Source
validone 7-phosphateUniProt
Manual XrefsDatabases
CPD-9668MetaCyc
Citations