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CHEBI:64260 - aminodeoxyfutalosine

ChEBI IDCHEBI:64260
ChEBI Nameaminodeoxyfutalosine
Stars
DefinitionAn andenosine derivative that is futalosine in which the hypoxanthine moiety is replaced by adenine.
Last Modified23 March 2012
SubmitterClaudia Rato da Silva
DownloadsMolfile
FormulaC19H19N5O6
Net Charge0
Average Mass413.390
Monoisotopic Mass413.13353
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)c2cccc(C(=O)O)c2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
InChIKeyJSTYUEOJPRFLHR-SCFUHWHPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
aminodeoxyfutalosine (CHEBI:64260) is a adenosines (CHEBI:22260)
aminodeoxyfutalosine (CHEBI:64260) is a benzoic acids (CHEBI:22723)
aminodeoxyfutalosine (CHEBI:64260) is conjugate acid of aminodeoxyfutalosinate (CHEBI:64286)
Incoming Relation(s)
aminodeoxyfutalosinate (CHEBI:64286) is conjugate base of aminodeoxyfutalosine (CHEBI:64260)
IUPAC Name 
3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid
Synonym  Source
AFLSUBMITTER
Citations