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CHEBI:131949 - validone 7-phosphate

ChEBI IDCHEBI:131949
ChEBI Namevalidone 7-phosphate
Stars
DefinitionA cyclitol phosphate that is validone carrying a single monophosphate substituent at position 7.
Last Modified18 May 2016
SubmitterSteve
DownloadsMolfile
FormulaC7H13O8P
Net Charge0
Average Mass256.147
Monoisotopic Mass256.03480
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)/t3-,5-,6+,7+/m1/s1
InChIKeyTWEGOAYSXFKLRS-UMWONPOSSA-N
ChEBI Ontology
Outgoing Relation(s)
validone 7-phosphate (CHEBI:131949) has functional parent validone (CHEBI:111542)
validone 7-phosphate (CHEBI:131949) is a cyclitol phosphate (CHEBI:23450)
validone 7-phosphate (CHEBI:131949) is a hydroxycyclohexanone (CHEBI:24693)
validone 7-phosphate (CHEBI:131949) is a triol (CHEBI:27136)
validone 7-phosphate (CHEBI:131949) is conjugate acid of validone 7-phosphate(2−) (CHEBI:111523)
Incoming Relation(s)
validone 7-phosphate(2−) (CHEBI:111523) is conjugate base of validone 7-phosphate (CHEBI:131949)
IUPAC Name 
[(1R,2R,3S,4R)-2,3,4-trihydroxy-5-oxocyclohexyl]methyl dihydrogen phosphate
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CPD-9668MetaCyc
Citations