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Chemistry, part 2

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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 > olefinic compound > cj-15,801

Preferred term

cj-15,801  

Type

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

Broader concept

charge

  • 0

formula

  • C9H15NO5

has_functional_parent

inchi

  • InChI=1S/C9H15NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h3-4,7,11,14H,5H2,1-2H3,(H,10,15)(H,12,13)/b4-3+/t7-/m0/s1

inchikey

  • HWKKTJQAKVPKTK-SDLBARTOSA-N

mass

  • 217.221

monoisotopicmass

  • 217.09502

smiles

  • O[C@H](C(CO)(C)C)C(=O)N/C=C/C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (E)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189351

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