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Concept information

Preferred term

هیدروژنوبیرینیک اسید a,c دی آمید  

Type

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

Broader concept

alt_id

  • CHEBI:24642
  • CHEBI:5789

charge

  • 0

formula

  • C45H62N6O12

inchi

  • InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,51H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1

inchikey

  • JJMDOVLPFPOLFZ-IPUCCYEASA-N

mass

  • 879.00702

monoisotopicmass

  • 878.44257

smiles

  • [H][C@]12N=C(/C(C)=C3/N=C(/C=C4/N=C(/C(C)=C5/N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O

subset

  • 3_STAR

synonym EXACT

  • Hydrogenobyrinic acid a,c-diamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:27914

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