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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > mbj-0110
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > mbj-0110
organooxygen compound > ester > lactone > cyclodepsipeptide > mbj-0110
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > mbj-0110
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > mbj-0110
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > mbj-0110
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > mbj-0110
... > 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 > cyclodepsipeptide > mbj-0110

Preferred term

mbj-0110  

Type

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

Broader concept

charge

  • 0

formula

  • C27H41N5O8

inchi

  • InChI=1S/C27H41N5O8/c1-3-15(2)22-27(39)40-16-9-10-28-17(13-16)23(34)29-18(26(37)38)14-21(33)31-12-6-8-20(31)25(36)32-11-5-4-7-19(32)24(35)30-22/h15-20,22,28H,3-14H2,1-2H3,(H,29,34)(H,30,35)(H,37,38)/t15-,16-,17-,18-,19-,20-,22-/m0/s1

inchikey

  • DWANMGKSWFVGJG-LBYOCRPYSA-N

mass

  • 563.652

monoisotopicmass

  • 563.29551

smiles

  • O=C1O[C@@H]2C[C@H](NCC2)C(=O)N[C@H](C(=O)O)CC(=O)N3[C@H](C(N4[C@H](C(N[C@H]1[C@H](CC)C)=O)CCCC4)=O)CCC3

subset

  • 2_STAR

synonym EXACT

  • (1S,4S,11S,18S,21S,24S)-21-[(2S)-butan-2-yl]-2,6,12,19,22-pentaoxo-23-oxa-3,7,13,20,27-pentazatetracyclo[22.3.1.07,11.013,18]octacosane-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225294

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