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CHEBI:128459 - valienol 1-phosphate

Default Structure
ChEBI IDCHEBI:128459
ChEBI Namevalienol 1-phosphate
Stars
DefinitionA cyclitol phosphate that is valienol carrying a sigle monophosphate group at position 1.
Last Modified18 April 2016
DownloadsMolfile
FormulaC7H13O8P
Net Charge0
Average Mass256.147
Monoisotopic Mass256.03480
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)/t4-,5+,6-,7-/m0/s1
InChIKeyYLYKAEKEKWAWLH-VZFHVOOUSA-N
ChEBI Ontology
Outgoing Relation(s)
valienol 1-phosphate (CHEBI:128459) is a cyclitol phosphate (CHEBI:23450)
valienol 1-phosphate (CHEBI:128459) is conjugate acid of valienol 1-phosphate(2−) (CHEBI:91252)
Incoming Relation(s)
valienol 1-phosphate(2−) (CHEBI:91252) is conjugate base of valienol 1-phosphate (CHEBI:128459)
IUPAC Name 
(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl dihydrogen phosphate
Synonym  Source
valienol 1-monophosphateChEBI
Manual XrefsDatabases
CPD-18786MetaCyc
Registry NumbersSources
Reaxys:21164348Reaxys
Citations