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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 > delftibactin a
organooxygen compound > carboxamide > peptide > delftibactin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > delftibactin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > delftibactin 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 > delftibactin a

Preferred term

delftibactin a  

Type

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

Broader concept

charge

  • 0

formula

  • C40H68N14O18

inchi

  • InChI=1S/C40H68N14O18/c1-5-21(46-26(58)15-45-36(66)27(20(4)57)51-37(67)28(30(60)39(69)70)52-31(61)18(2)29(59)19(3)41)32(62)47-23(10-7-13-53(71)17-56)34(64)50-25(16-55)35(65)48-22(9-6-12-44-40(42)43)33(63)49-24-11-8-14-54(72)38(24)68/h5,17-20,22-25,27-30,55,57,59-60,71-72H,6-16,41H2,1-4H3,(H,45,66)(H,46,58)(H,47,62)(H,48,65)(H,49,63)(H,50,64)(H,51,67)(H,52,61)(H,69,70)(H4,42,43,44)/b21-5-

inchikey

  • GCNNBBXYZHJYOR-SQFVCTCFSA-N

mass

  • 1033.064

monoisotopicmass

  • 1032.48360

smiles

  • O=C1N(O)CCCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(/NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(O)C(N)C)C)C(O)C(=O)O)C(O)C)=C/C)CCCN(O)C=O)CO)CCCN=C(N)N

subset

  • 2_STAR

synonym EXACT

  • 3-[(4-amino-3-hydroxy-2-methylpentanoyl)amino]-4-[[1-[[2-[[(Z)-1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219026

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