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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 > oligopeptide > malleobactin a
organooxygen compound > carboxamide > peptide > oligopeptide > malleobactin a
... > 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 a
... > 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 a
... > 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 a

Preferred term

malleobactin a  

Type

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

Broader concept

charge

  • 0

formula

  • C23H40N8O13

inchi

  • InChI=1S/C23H40N8O13/c24-7-1-2-8-25-19(36)15(6-3-9-30(42)13-34)27-21(38)16(11-32)28-22(39)17(18(35)23(40)41)29-20(37)14(26-12-33)5-4-10-31(43)44/h12-18,32,35,42H,1-11,24H2,(H,25,36)(H,26,33)(H,27,38)(H,28,39)(H,29,37)(H,40,41)/t14-,15-,16-,17+,18+/m0/s1

inchikey

  • SFTPYNFMHUKKSK-NNPSNHGLSA-N

mass

  • 636.616

monoisotopicmass

  • 636.27148

smiles

  • O=[N+]([O-])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

subset

  • 2_STAR

synonym EXACT

  • (2R,3R)-4-[[(2S)-1-[[(2S)-1-(4-aminobutylamino)-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2-ormamido-5-nitropentanoyl]amino]-2-hydroxy-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212275

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