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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > (2s)-2-amino-3-[4-(3-oxobutanoyl)phenyl]propanoic acid

Preferred term

(2s)-2-amino-3-[4-(3-oxobutanoyl)phenyl]propanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C13H15NO4

inchi

  • InChI=1S/C13H15NO4/c1-8(15)6-12(16)10-4-2-9(3-5-10)7-11(14)13(17)18/h2-5,11H,6-7,14H2,1H3,(H,17,18)/t11-/m0/s1

inchikey

  • SDCUHTYMKHFOIN-NSHDSACASA-N

mass

  • 249.266

monoisotopicmass

  • 249.10011

smiles

  • O(C(=O)[C@@](N([H])[H])(C(C1=C(C(=C(C(=C1[H])[H])C(=O)C(C(=O)C([H])([H])[H])([H])[H])[H])[H])([H])[H])[H])[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232821

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