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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > [(3s,4r)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) > [(3s,4r)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-)

Preferred term

[(3s,4r)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • -2

formula

  • C13H21O7P

inchi

  • InChI=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

inchikey

  • SVSJADIUUOOBST-CMPLNLGQSA-L

mass

  • 320.279

monoisotopicmass

  • 320.10359

smiles

  • [C@]1([C@@](C(OC1)=O)(C(CCCCC(C)C)=O)[H])(COP([O-])(=O)[O-])[H]

subset

  • 3_STAR

synonym EXACT

  • [(3S,4R)-4-(6-methylheptanoyl)-5-oxotetrahydrofuran-3-yl]methyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138605

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