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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 > microginin 91-d
organooxygen compound > carboxamide > peptide > microginin 91-d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > microginin 91-d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > microginin 91-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 > microginin 91-d

Preferred term

microginin 91-d  

Type

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

Broader concept

charge

  • 0

formula

  • C37H60ClN5O8

inchi

  • InChI=1S/C37H60ClN5O8/c1-6-24(4)31(41-34(47)32(45)27(39)13-10-8-7-9-11-19-38)36(49)42(5)30(21-23(2)3)35(48)43-20-12-14-29(43)33(46)40-28(37(50)51)22-25-15-17-26(44)18-16-25/h15-18,23-24,27-32,44-45H,6-14,19-22,39H2,1-5H3,(H,40,46)(H,41,47)(H,50,51)/t24-,27+,28-,29-,30-,31-,32+/m0/s1

inchikey

  • VERJLHWODWFYHF-GPRDHDTNSA-N

mass

  • 738.360

monoisotopicmass

  • 737.41304

smiles

  • ClCCCCCCC[C@@H](N)[C@@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC1)CC(C)C)C)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220785

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