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CHEBI:139248 - [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate

ChEBI IDCHEBI:139248
ChEBI Name[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate
Stars
DefinitionA butenolide that is (5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4.
Last Modified8 December 2017
SubmitterSteve
DownloadsMolfile
FormulaC13H21O7P
Net Charge0
Average Mass320.278
Monoisotopic Mass320.10249
SMILESCC(C)CCCCC(=O)C1=C(COP(=O)(O)O)COC1=O
InChIInChI=1S/C13H21O7P/c1-9(2)5-3-4-6-11(14)12-10(7-19-13(12)15)8-20-21(16,17)18/h9H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyYBTPRHSACHYWOV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (17277085)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate (CHEBI:139248) has role bacterial metabolite (CHEBI:76969)
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate (CHEBI:139248) is a butenolide (CHEBI:50523)
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate (CHEBI:139248) is a enone (CHEBI:51689)
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate (CHEBI:139248) is a monoalkyl phosphate (CHEBI:25381)
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate (CHEBI:139248) is conjugate acid of [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2−) (CHEBI:138604)
Incoming Relation(s)
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2−) (CHEBI:138604) is conjugate base of [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate (CHEBI:139248)
IUPAC Name 
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl dihydrogen phosphate
Manual XrefsDatabases
CPD-19889MetaCyc
Citations