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Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > asp-gln-thr
organooxygen compound > carboxamide > peptide > asp-gln-thr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > asp-gln-thr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > asp-gln-thr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > asp-gln-thr

Preferred term

asp-gln-thr  

Type

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

Broader concept

charge

  • 0

formula

  • C13H22N4O8

inchi

  • InChI=1S/C13H22N4O8/c1-5(18)10(13(24)25)17-12(23)7(2-3-8(15)19)16-11(22)6(14)4-9(20)21/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1

inchikey

  • KIJLEFNHWSXHRU-NUMRIWBASA-N

mass

  • 362.339

monoisotopicmass

  • 362.14376

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-amino-4-[[(2S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:160505

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