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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 > alkaloid > nigragillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > tertiary carboxamide > nigragillin
organooxygen compound > carboxamide > tertiary carboxamide > nigragillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > tertiary carboxamide > nigragillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enamide > nigragillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > alpha,beta-unsaturated carboxylic acid amide > enamide > nigragillin
organooxygen compound > carboxamide > alpha,beta-unsaturated carboxylic acid amide > enamide > nigragillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > alpha,beta-unsaturated carboxylic acid amide > enamide > nigragillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > n-alkylpiperazine > nigragillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > n-alkylpiperazine > nigragillin

Preferred term

nigragillin  

Type

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

Broader concept

charge

  • 0

formula

  • C13H22N2O

has_functional_parent

has_role

inchi

  • InChI=1S/C13H22N2O/c1-5-6-7-8-13(16)15-10-11(2)14(4)9-12(15)3/h5-8,11-12H,9-10H2,1-4H3/b6-5+,8-7+/t11-,12+/m0/s1

inchikey

  • DVCNHRTYSUTLOS-OJRXFFSMSA-N

mass

  • 222.327

monoisotopicmass

  • 222.17321

smiles

  • C1N([C@@H](CN([C@H]1C)C)C)C(/C=C/C=C/C)=O

subset

  • 3_STAR

synonym EXACT

  • (2E,4E)-1-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one

synonym RELATED

  • Nigragilline

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:133753

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