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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > cupric yersiniabactin

Preferred term

cupric yersiniabactin  

Type

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

Broader concept

charge

  • 0

formula

  • C21H23CuN3O4S3

inchi

  • InChI=1S/C21H25N3O4S3.Cu/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25;/h4-7,12-13,15,17,25H,8-10H2,1-3H3,(H,27,28);/q-2;+4/p-2/t12-,13+,15+,17?,21+;/m0./s1

inchikey

  • KQTBFFUEBMGWJZ-AOWBWOEMSA-L

mass

  • 541.160

monoisotopicmass

  • 540.01467

smiles

  • C1=CC=CC2=C1C=3SC[C@@]4(C5SC[C@]6([C@@]7(C(C8=N9[Cu](O2)(OC([C@]9(CS8)C)=O)(N34)(N56)O7)(C)C)[H])[H])[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232568

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