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Chemistry, part 1

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

Preferred term

asn-gln-asp  

Type

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

Broader concept

charge

  • 0

formula

  • C13H21N5O8

inchi

  • InChI=1S/C13H21N5O8/c14-5(3-9(16)20)11(23)17-6(1-2-8(15)19)12(24)18-7(13(25)26)4-10(21)22/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,23)(H,18,24)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1

inchikey

  • HJRBIWRXULGMOA-ACZMJKKPSA-N

mass

  • 375.338

monoisotopicmass

  • 375.13901

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:159681

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