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CHEBI:138605 - [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2−)

ChEBI IDCHEBI:138605
ChEBI Name[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2−)
Stars
ASCII Name[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-)
DefinitionA [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2−) obtained by deprotonation of the phosphate OH groups of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate; major species at pH 7.3.
Last Modified3 July 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H21O7P
Net Charge-2
Average Mass320.278
Monoisotopic Mass320.10359
SMILES[H][C@@]1(COP(=O)([O-])[O-])COC(=O)[C@@]1([H])C(=O)CCCCC(C)C
InChIInChI=1S/C13H23O7P/c1-9(2)5-3-4-6-11(14)12-10(7-19-13(12)15)8-20-21(16,17)18/h9-10,12H,3-8H2,1-2H3,(H2,16,17,18)/p-2/t10-,12+/m0/s1
InChIKeySVSJADIUUOOBST-CMPLNLGQSA-L
ChEBI Ontology
Outgoing Relation(s)
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2−) (CHEBI:138605) is a [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2−) (CHEBI:138621)
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2−) (CHEBI:138605) is conjugate base of [(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate (CHEBI:139267)
Incoming Relation(s)
[(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate (CHEBI:139267) is conjugate acid of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2−) (CHEBI:138605)
IUPAC Name 
[(3S,4R)-4-(6-methylheptanoyl)-5-oxotetrahydrofuran-3-yl]methyl phosphate
Synonym  Source
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphateIUPAC
UniProt Name  Source
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphateUniProt
Manual XrefsDatabases
CPD-19888MetaCyc
Citations