EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:91252 - valienol 1-phosphate(2−)

ChEBI IDCHEBI:91252
ChEBI Namevalienol 1-phosphate(2−)
Stars
ASCII Namevalienol 1-phosphate(2-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of valienol 1-phosphate; major species at pH 7.3.
Last Modified18 April 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H11O8P
Net Charge-2
Average Mass254.131
Monoisotopic Mass254.02025
SMILESO=P([O-])([O-])O[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13O8P/c8-2-3-1-4(15-16(12,13)14)6(10)7(11)5(3)9/h1,4-11H,2H2,(H2,12,13,14)/p-2/t4-,5+,6-,7-/m0/s1
InChIKeyYLYKAEKEKWAWLH-VZFHVOOUSA-L
ChEBI Ontology
Outgoing Relation(s)
valienol 1-phosphate(2−) (CHEBI:91252) is a organophosphate oxoanion (CHEBI:58945)
valienol 1-phosphate(2−) (CHEBI:91252) is conjugate base of valienol 1-phosphate (CHEBI:128459)
Incoming Relation(s)
valienol 1-phosphate (CHEBI:128459) is conjugate acid of valienol 1-phosphate(2−) (CHEBI:91252)
IUPAC Name 
(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl phosphate
Synonym  Source
valienol 1-monophosphate(2−)ChEBI
UniProt Name  Source
valienol 1-phosphateUniProt
Manual XrefsDatabases
CPD-18786MetaCyc
Registry NumbersSources
Reaxys:21794274Reaxys
Citations