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CHEBI:230407 - 3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-[[ethyl(formyl)amino]-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid

Default Structure
ChEBI IDCHEBI:230407
ChEBI Name3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-[[ethyl(formyl)amino]-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N7O7
Net Charge0
Average Mass529.554
Monoisotopic Mass529.22850
SMILESCCN(C=O)C(O)C1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)C(O)C1O
InChIInChI=1S/C24H31N7O7/c1-2-30(12-32)22(37)19-17(35)18(36)23(38-19)31-11-27-16-20(25)28-24(29-21(16)31)26-10-9-14-5-3-13(4-6-14)7-8-15(33)34/h3-6,11-12,17-19,22-23,35-37H,2,7-10H2,1H3,(H,33,34)(H3,25,26,28,29)
InChIKeyXGEUXUWQOHFDSY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-[[ethyl(formyl)amino]-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid (CHEBI:230407) is a purine nucleoside (CHEBI:26394)
IUPAC Name 
3-[4-[2-[[6-amino-9-[5-[[ethyl(ormyl)amino]-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Manual XrefsDatabases
HMDB0257575HMDB