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CHEBI:62910 - ethyl-ATP

ChEBI IDCHEBI:62910
ChEBI Nameethyl-ATP
Stars
DefinitionAn organic triphosphate formed by condensation between the γ-phospho group of adenosine 5'-triphosphate and ethanol.
Last Modified15 September 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H20N5O13P3
Net Charge0
Average Mass535.236
Monoisotopic Mass535.02705
SMILESCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H20N5O13P3/c1-2-26-31(20,21)29-33(24,25)30-32(22,23)27-3-6-8(18)9(19)12(28-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKeyISCLZDJGLPCZAS-WOUKDFQISA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl-ATP (CHEBI:62910) has functional parent ATP (CHEBI:15422)
ethyl-ATP (CHEBI:62910) has functional parent ethanol (CHEBI:16236)
ethyl-ATP (CHEBI:62910) is a organic triphosphate (CHEBI:62894)
IUPAC Name 
adenosine 5'-(P3-ethyl trihydrogen triphosphate)
Synonyms  Source
monoethyl adenosine-triphosphateChEBI
γ-ethyl adenosine triphosphateChEBI
γ-monoethyl adenosine triphosphateChEBI
ethyl adenosine triphosphateChEBI
triphosphoric acid 1-adenosin-5'-yl ester 3-ethyl esterChEBI
O5'-(3-ethoxy-1,2,3-trihydroxy[1]triphosphoryl)adenosineChEBI
Manual XrefsDatabases
US5639653Patent
Registry NumbersSources
Reaxys:1200624Reaxys
Citations