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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > 6,7-diketothiomarinol c
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > 6,7-diketothiomarinol c
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > 6,7-diketothiomarinol c
... > 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 > 6,7-diketothiomarinol c
... > 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 > 6,7-diketothiomarinol c
... > 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 > 6,7-diketothiomarinol c
organooxygen compound > carboxamide > n-acyl-amino acid > 6,7-diketothiomarinol c
... > 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 > 6,7-diketothiomarinol c

Preferred term

6,7-diketothiomarinol c  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42N2O8S2

inchi

  • InChI=1S/C30H42N2O8S2/c1-18(14-23-28(37)27(36)21(16-40-23)11-9-10-19(2)20(3)33)15-25(35)39-13-8-6-4-5-7-12-24(34)32-26-29-22(17-41-42-29)31-30(26)38/h9-10,15,17,19-20,23,26,29,33,36H,4-8,11-14,16H2,1-3H3,(H,31,38)(H,32,34)/b10-9+,18-15+/t19-,20+,23+,26?,29?/m1/s1

inchikey

  • GMHYQDMPBBQNGP-HTGOIRACSA-N

mass

  • 622.790

monoisotopicmass

  • 622.23826

smiles

  • S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/C[C@@H]3OCC(C/C=C/[C@H]([C@@H](O)C)C)=C(C3=O)O)/C)C(=O)NC2=C1

subset

  • 2_STAR

synonym EXACT

  • [8-oxo-8-[(5-oxo-6,6a-dihydro-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E)-4-[(6S)-4-hydroxy-3-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]-5-oxo-2H-pyran-6-yl]-3-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206081

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