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Chemistry, part 2

Content language

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Concept information

organic anion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate
organic anion > carboxylic acid anion > monocarboxylic acid anion > oxo monocarboxylic acid anion > 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate
organic anion > carboxylic acid anion > oxo carboxylic acid anion > oxo monocarboxylic acid anion > 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate
... > organic anion > carboxylic acid anion > monocarboxylic acid anion > fatty acid anion > carbocyclic fatty acid anion > 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid anion > carbocyclic fatty acid anion > 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate

Preferred term

3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate  

Type

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

Broader concept

charge

  • -1

formula

  • C13H19O4

inchi

  • InChI=1S/C13H20O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-10,14H,2-7H2,1H3,(H,16,17)/p-1/t8-,9-,10+,13-/m0/s1

inchikey

  • PTOAZNZPJAHUEF-XHSYRHOGSA-M

is_conjugate_base_of

mass

  • 239.28810

monoisotopicmass

  • 239.12888

smiles

  • C[C@]12CC[C@@H](O)[C@@H](CCC([O-])=O)[C@@H]1CCC2=O

subset

  • 3_STAR

synonym EXACT

  • 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate

synonym RELATED

  • 5-alpha-OH-HIP
  • 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83736

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