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CHEBI:138604 - [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2−)

ChEBI IDCHEBI:138604
ChEBI Name[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2−)
Stars
ASCII Name[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2-)
DefinitionA (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2−) obtained by deprotonation of the phosphate OH groups of [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate; major species at pH 7.3.
Last Modified7 December 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H19O7P
Net Charge-2
Average Mass318.262
Monoisotopic Mass318.08794
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)/p-2
InChIKeyYBTPRHSACHYWOV-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2−) (CHEBI:138604) is a (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2−) (CHEBI:138603)
[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)
Incoming Relation(s)
[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)
IUPAC Name 
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate
UniProt Name  Source
[4-(6-methylheptanoyl)-5-oxo-2H-furan-3-yl]methyl phosphateUniProt
Manual XrefsDatabases
CPD-19889MetaCyc
Citations