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Concept information

Preferred term

2-furoyl-coa  

Type

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

Broader concept

alt_id

  • CHEBI:1102
  • CHEBI:11578
  • CHEBI:19584

charge

  • 0

formula

  • C26H38N7O18P3S

has_functional_parent

inchi

  • InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1

inchikey

  • IIKOXWXMCPEVLL-DJVIHCHSSA-N

is_conjugate_acid_of

mass

  • 861.60358

monoisotopicmass

  • 861.12069

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)c1ccco1

subset

  • 3_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:15474

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