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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > vestaine b1
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > vestaine b1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > vestaine b1
... > 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 > vestaine b1
... > 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 > vestaine b1
... > 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 > vestaine b1
organooxygen compound > carboxamide > n-acyl-amino acid > vestaine b1
... > 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 > vestaine b1

Preferred term

vestaine b1  

Type

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

Broader concept

charge

  • +1

formula

  • C25H49N2O4S

inchi

  • InChI=1S/C25H48N2O4S/c1-7-20(2)16-14-12-10-8-9-11-13-15-17-24(29)23(27(4,5)6)19-32-18-22(25(30)31)26-21(3)28/h20,22-23H,7-19H2,1-6H3,(H-,26,28,30,31)/p+1/t20?,22-,23?/m0/s1

inchikey

  • GXQHTUZOMWRVTK-APKLWFBNSA-O

mass

  • 473.740

monoisotopicmass

  • 473.34076

smiles

  • S(CC([N+](C)(C)C)C(=O)CCCCCCCCCCC(CC)C)C[C@H](NC(=O)C)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • [1-[(2R)-2-acetamido-2-carboxyethyl]sulanyl-14-methyl-3-oxohexadecan-2-yl]-trimethylazanium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225844

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