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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > amino acid > alpha-amino acid > ergoyne a
... > organooxygen compound > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > ergoyne a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > ergoyne a
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > ergoyne a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amino acid > alpha-amino acid > ergoyne a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amino acid > alpha-amino acid > ergoyne a

Preferred term

ergoyne a  

Type

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

Broader concept

charge

  • +1

formula

  • C27H34N3O4S

inchi

  • InChI=1S/C27H33N3O4S/c1-20(2)14-15-21(25(31)32)12-10-8-6-7-9-11-13-23-16-17-35-27-28-22(19-29(23)27)18-24(26(33)34)30(3,4)5/h8,10,13,16-17,19-21,24H,12,14-15,18H2,1-5H3,(H-,31,32,33,34)/p+1/b10-8?,23-13+

inchikey

  • XUBRYJDBDQQVDA-VWFOWSBOSA-O

mass

  • 496.650

monoisotopicmass

  • 496.22645

smiles

  • S1C2=NC(CC([N+](C)(C)C)C(=O)O)=CN2/C(=C/C#CC#CC=CCC(C(=O)O)CCC(C)C)/C=C1

subset

  • 2_STAR

synonym EXACT

  • [1-carboxy-2-[(5E)-5-(9-carboxy-12-methyltridec-6-en-2,4-diynylidene)imidazo[2,1-b][1,3]thiazin-2-yl]ethyl]-trimethylazanium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219805

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