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validone 7-phosphate

PropertiesImage
MNX_IDMNXM9223 Image of MNXM9223
referencechebi:111523
formulaC7H11O8P
global charge-2
mol weight254.131
InChIKeyTWEGOAYSXFKLRS-UMWONPOSSA-L
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
SMILESO=C1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM9223
SMILES (mnx)[CH2:1]1[C@H:3]([CH2:2][O:15][P:16]([OH:12])([OH:13])=[O:14])[C@@H:5]([OH:9])[C@H:7]([OH:11])[C@@H:6]([OH:10])[C:4]1=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:111523
chebi:111523
TWEGOAYSXFKLRS-UMWONPOSSA-L 		validone 7-phosphate
[(1R,2R,3S,4R)-2,3,4-trihydroxy-5-oxocyclohexyl]methyl phosphate
validone 7-phosphate(2-)

kegg.compound:C21218
keggC:C21218
TWEGOAYSXFKLRS-UMWONPOSSA-N 		Validone 7-phosphate

metacyc.compound:CPD-9668
metacycM:CPD-9668
TWEGOAYSXFKLRS-UMWONPOSSA-L 		validone 7-phosphate

CHEBI:131949
chebi:131949
TWEGOAYSXFKLRS-UMWONPOSSA-N 		validone 7-phosphate
[(1R,2R,3S,4R)-2,3,4-trihydroxy-5-oxocyclohexyl]methyl dihydrogen phosphate

seed.compound:cpd25782
seedM:cpd25782
TWEGOAYSXFKLRS-UMWONPOSSA-L 		validone-7-phosphate
validone 7-phosphate

keggC:M_C21218
seedM:M_cpd25782 		secondary/obsolete/fantasy identifier