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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 > asparagine derivative > (2s)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid

Preferred term

(2s)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C12H14N2O6

inchi

  • InChI=1S/C12H14N2O6/c13-10(17)5-8(12(19)20)14-11(18)3-6-1-2-7(15)4-9(6)16/h1-2,4,8,15-16H,3,5H2,(H2,13,17)(H,14,18)(H,19,20)/t8-/m0/s1

inchikey

  • XWUFTPIDMLSXES-QMMMGPOBSA-N

mass

  • 282.250

monoisotopicmass

  • 282.08519

smiles

  • C1=CC(=C(C=C1O)O)CC(=O)N[C@@H](CC(=O)N)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94065

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