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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > amino acid > alpha-amino acid > schembl21397201
... > organooxygen compound > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > schembl21397201
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > schembl21397201
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > schembl21397201
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amino acid > alpha-amino acid > schembl21397201
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amino acid > alpha-amino acid > schembl21397201

Preferred term

schembl21397201  

Type

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

Broader concept

charge

  • 0

formula

  • C23H31NO5

inchi

  • InChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h6,10,14,18,24,28H,5,7-9,11-12H2,1-4H3,(H,26,27)

inchikey

  • WDMPTRNBGBEFTI-UHFFFAOYSA-N

mass

  • 401.503

monoisotopicmass

  • 401.22022

smiles

  • OC1=C(CC2(C3C(CCC2C)(C(=CCC3)C)C)C)C(=O)C(=O)C=C1NCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-[[5-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-6-hydroxy-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181740

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