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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > topostin b-553
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > topostin b-553
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > topostin b-553
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > topostin b-553
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > topostin b-553
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > topostin b-553
organooxygen compound > carboxamide > n-acyl-amino acid > topostin b-553
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > topostin b-553

Preferred term

topostin b-553  

Type

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

Broader concept

charge

  • 0

formula

  • C33H63NO5

inchi

  • InChI=1S/C33H63NO5/c1-4-5-6-7-8-9-10-13-16-19-22-25-30(27-31(35)34-28-32(36)37)39-33(38)26-23-20-17-14-11-12-15-18-21-24-29(2)3/h29-30H,4-28H2,1-3H3,(H,34,35)(H,36,37)/t30-/m1/s1

inchikey

  • HGZNYJPHHPDUFK-SSEXGKCCSA-N

mass

  • 553.869

monoisotopicmass

  • 553.47062

smiles

  • O=C(O[C@@H](CC(=O)NCC(=O)O)CCCCCCCCCCCCC)CCCCCCCCCCCC(C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[(3R)-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200188

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