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CHEBI:184733 - (2R,3S,4S,5R,6S)-2-Ethyl-6-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxane-3,4,5-triol

ChEBI IDCHEBI:184733
ChEBI Name(2R,3S,4S,5R,6S)-2-Ethyl-6-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25N5O4
Net Charge0
Average Mass363.418
Monoisotopic Mass363.19065
SMILESCC[C@H]1O[C@H](n2cnc3c(NCC=C(C)C)ncnc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H25N5O4/c1-4-10-12(23)13(24)14(25)17(26-10)22-8-21-11-15(18-6-5-9(2)3)19-7-20-16(11)22/h5,7-8,10,12-14,17,23-25H,4,6H2,1-3H3,(H,18,19,20)/t10-,12-,13+,14-,17+/m1/s1
InChIKeyMIBAUVZDWWWONW-HFVZKWEFSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6S)-2-Ethyl-6-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxane-3,4,5-triol (CHEBI:184733) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-ethyl-6-[6-(3-methylbut-2-enylamino)purin-9-yl]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0012240HMDB
30776605ChemSpider