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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > dibenzoyl thiamine
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > dibenzoyl thiamine

Preferred term

dibenzoyl thiamine  

Type

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

Broader concept

charge

  • 0

formula

  • C26H26N4O4S

inchi

  • InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-

inchikey

  • AZJUFRDUYTYIHV-NKFKGCMQSA-N

mass

  • 490.580

monoisotopicmass

  • 490.16748

smiles

  • S(/C(=C(/N(CC=1C(=NC(=NC1)C)N)C=O)/C)/CCOC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

  • [(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-ormylamino]-3-benzoylsulanylpent-3-enyl] benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194283

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