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Chemistry, part 1

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Concept information

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

Preferred term

trienomycin d  

Type

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

Broader concept

charge

  • 0

formula

  • C36H48N2O7

inchi

  • InChI=1S/C36H48N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,16,18,20-22,25-26,31-32,34,39,41H,8-10,13,15,17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7-,18-11+,24-14+/t25-,26-,31-,32-,34+/m0/s1

inchikey

  • OBMHDUHQCCKFEX-VPRJSADRSA-N

mass

  • 620.787

monoisotopicmass

  • 620.34615

smiles

  • O=C1NC2=CC(O)=CC(=C2)CCC=C([C@@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@@H](NC(=O)C3=CCCCC3)C)C

subset

  • 2_STAR

synonym EXACT

  • [(5R,6E,8E,10Z,13S,14R,15S,16E)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2S)-2-(cyclohexene-1-carbonylamino)propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221864

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