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

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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
ChEBI ID CHEBI:184733
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H25N5O4
Net Charge 0
Average Mass 363.418
Monoisotopic Mass 363.19065
InChI InChI=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
InChIKey MIBAUVZDWWWONW-HFVZKWEFSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1N2C3=NC=NC(NCC=C(C)C)=C3N=C2)CC
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xrefs Databases
30776605 ChemSpider
HMDB0012240 HMDB
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