EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64286 - aminodeoxyfutalosinate

ChEBI IDCHEBI:64286
ChEBI Nameaminodeoxyfutalosinate
Stars
DefinitionA 5-oxo monocarboxylic acid anion that is the conjugate base of aminodeoxyfutalosine, arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC19H18N5O6
Net Charge-1
Average Mass412.382
Monoisotopic Mass412.12626
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)/p-1/t12-,14-,15-,18-/m1/s1
InChIKeyJSTYUEOJPRFLHR-SCFUHWHPSA-M
ChEBI Ontology
Outgoing Relation(s)
aminodeoxyfutalosinate (CHEBI:64286) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
aminodeoxyfutalosinate (CHEBI:64286) is conjugate base of aminodeoxyfutalosine (CHEBI:64260)
Incoming Relation(s)
aminodeoxyfutalosine (CHEBI:64260) is conjugate acid of aminodeoxyfutalosinate (CHEBI:64286)
IUPAC Name 
3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoate
Synonyms  Source
aminodeoxyfutalosinate anionChEBI
aminodeoxyfutalosinate(1−)ChEBI
UniProt Name  Source
6-amino-6-deoxyfutalosineUniProt