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Concept information

organooxygen compound > carbonyl compound > thioester > acyl-coa > cyclohex-1-ene-1-carbonyl-coa
organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > cyclohex-1-ene-1-carbonyl-coa

Preferred term

cyclohex-1-ene-1-carbonyl-coa  

Type

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

Broader concept

alt_id

  • CHEBI:23461
  • CHEBI:4005

charge

  • 0

formula

  • C28H44N7O17P3S

inchi

  • InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1

inchikey

  • YTTZSBMCHSFQSJ-TYHXJLICSA-N

mass

  • 875.67322

monoisotopicmass

  • 875.17273

smiles

  • CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • Cyclohex-1-ene-1-carbonyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28005

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