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Concept information

Preferred term

octanoyl-coa  

Type

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

alt_id

  • CHEBI:14681
  • CHEBI:25651
  • CHEBI:41542
  • CHEBI:7724

charge

  • 0

formula

  • C29H50N7O17P3S

has_functional_parent

inchi

  • InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1

inchikey

  • KQMZYOXOBSXMII-CECATXLMSA-N

is_conjugate_acid_of

mass

  • 893.730

monoisotopicmass

  • 893.21968

smiles

  • CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
  • Octanoyl-coa
  • Octanoyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:15533

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