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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > valine derivative > abenquine c

Preferred term

abenquine c  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16N2O5

inchi

  • InChI=1S/C13H16N2O5/c1-6(2)12(13(19)20)15-9-5-10(17)8(4-11(9)18)14-7(3)16/h4-6,12,15H,1-3H3,(H,14,16)(H,19,20)/t12-/m0/s1

inchikey

  • WXCJZGWBYDDUCO-LBPRGKRZSA-N

mass

  • 280.280

monoisotopicmass

  • 280.10592

smiles

  • O=C1C(NC(=O)C)=CC(=O)C(=C1)N[C@H](C(=O)O)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-methylbutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212382

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