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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 > oligopeptide > malleobactin d
organooxygen compound > carboxamide > peptide > oligopeptide > malleobactin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > malleobactin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > malleobactin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > malleobactin d

Preferred term

malleobactin d  

Type

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

Broader concept

charge

  • 0

formula

  • C46H80N16O23

inchi

  • InChI=1S/C46H80N16O23/c47-13-1-3-15-49-37(71)29(11-6-18-60(83)25-67)54-41(75)31(21-63)56-43(77)33(35(69)45(79)80)58-39(73)27(51-23-65)9-5-17-53-62(85)20-8-10-28(52-24-66)40(74)59-34(36(70)46(81)82)44(78)57-32(22-64)42(76)55-30(12-7-19-61(84)26-68)38(72)50-16-4-2-14-48/h23-36,63-64,69-70,83-84H,1-22,47-48H2,(H,49,71)(H,50,72)(H,51,65)(H,52,66)(H,54,75)(H,55,76)(H,56,77)(H,57,78)(H,58,73)(H,59,74)(H,79,80)(H,81,82)/b62-53-/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+/m0/s1

inchikey

  • AOKYZSLJEULWJU-KOSIIYQHSA-N

mass

  • 1225.235

monoisotopicmass

  • 1224.55822

smiles

  • O=C(O)[C@H](O)[C@@H](NC(=O)[C@@H](NC=O)CCC/[N+](/[O-])=N/CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCN)CCCN(O)C=O)CO)[C@@H](O)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCN)CCCN(O)C=O)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203138

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