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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 > monocarboxylic acid amide > pyrrolidinecarboxamide > ertapenem
organooxygen compound > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > ertapenem
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > ertapenem
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinecarboxamide > ertapenem
organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinecarboxamide > ertapenem
organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinecarboxamide > ertapenem
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > carbapenemcarboxylic acid > ertapenem
... > organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > carbapenemcarboxylic acid > ertapenem
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > carbapenemcarboxylic acid > ertapenem
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > carbapenemcarboxylic acid > ertapenem
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > beta-lactam > beta-lactam antibiotic > carbapenems > carbapenemcarboxylic acid > ertapenem
... > organooxygen compound > carboxamide > lactam > beta-lactam > beta-lactam antibiotic > carbapenems > carbapenemcarboxylic acid > ertapenem
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > beta-lactam > beta-lactam antibiotic > carbapenems > carbapenemcarboxylic acid > ertapenem
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > beta-lactam > beta-lactam antibiotic > carbapenems > carbapenemcarboxylic acid > ertapenem
... > organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > beta-lactam > beta-lactam antibiotic > carbapenems > carbapenemcarboxylic acid > ertapenem
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > carbapenems > carbapenemcarboxylic acid > ertapenem
organic heterocyclic compound > organonitrogen heterocyclic compound > carbapenems > carbapenemcarboxylic acid > ertapenem
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > carbapenems > carbapenemcarboxylic acid > ertapenem

Preferred term

ertapenem  

Type

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

Broader concept

alt_id

  • CHEBI:471574

charge

  • 0

formula

  • C22H25N3O7S

has_role

inchi

  • InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1

inchikey

  • JUZNIMUFDBIJCM-ANEDZVCMSA-N

is_conjugate_acid_of

mass

  • 475.51500

monoisotopicmass

  • 475.14132

smiles

  • [H][C@]1(CN[C@@]([H])(C1)C(=O)Nc1cccc(c1)C(O)=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • ERTAPENEM

synonym RELATED

  • (1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid
  • (4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • ertapenem

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:404903

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