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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 > carboxamide > peptide > depsipeptide > wa8242 a2
organooxygen compound > carboxamide > peptide > depsipeptide > wa8242 a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > wa8242 a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > wa8242 a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > wa8242 a2

Preferred term

wa8242 a2  

Type

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

Broader concept

charge

  • 0

formula

  • C39H74N2O7

inchi

  • InChI=1S/C39H74N2O7/c1-31(2)23-18-14-10-6-5-7-13-17-21-26-34(30-36(40)43)48-39(47)35(27-22-28-38(45)46)41-37(44)29-33(42)25-20-16-12-9-8-11-15-19-24-32(3)4/h31-35,42H,5-30H2,1-4H3,(H2,40,43)(H,41,44)(H,45,46)/t33-,34-,35-/m0/s1

inchikey

  • MFXGXWREXQFLMA-IMKBVMFZSA-N

mass

  • 683.028

monoisotopicmass

  • 682.54960

smiles

  • O=C(O[C@H](CC(=O)N)CCCCCCCCCCCC(C)C)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCCC(C)C)CCCC(=O)O

subset

  • 2_STAR

synonym EXACT

  • (5S)-6-[(3S)-1-amino-15-methyl-1-oxohexadecan-3-yl]oxy-5-[[(3S)-3-hydroxy-14-methylpentadecanoyl]amino]-6-oxohexanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225621

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