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CHEBI:74517 - propionyl adenylate

ChEBI IDCHEBI:74517
ChEBI Namepropionyl adenylate
Stars
DefinitionA member of the class of adenosines that is adenosine with the hydrogen on the 5'-hydroxy group replaced with a propanoyl group.
Last Modified11 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC13H17N5O5
Net Charge0
Average Mass323.309
Monoisotopic Mass323.12297
SMILESCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H17N5O5/c1-2-7(19)22-3-6-9(20)10(21)13(23-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H2,14,15,16)/t6-,9-,10-,13-/m1/s1
InChIKeyHHBDDEZLXDKDHK-ZRFIDHNTSA-N
ChEBI Ontology
Outgoing Relation(s)
propionyl adenylate (CHEBI:74517) has functional parent adenosine (CHEBI:16335)
propionyl adenylate (CHEBI:74517) is a adenosines (CHEBI:22260)
IUPAC Name 
5'-O-propanoyladenosine
Registry NumbersSources
Reaxys:55627Reaxys