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CHEBI:176045 - 3'-Amino-3'-deoxythimidine glucuronide

ChEBI IDCHEBI:176045
ChEBI Name3'-Amino-3'-deoxythimidine glucuronide
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SubmitterMetaboLights
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FormulaC16H23N3O10
Net Charge0
Average Mass417.371
Monoisotopic Mass417.13834
SMILESCc1cn(C2CC(N)C(CO[C@H]3[C@H](O)[C@@H](C(=O)O)OC(O)[C@@H]3O)O2)c(=O)nc1=O
InChIInChI=1S/C16H23N3O10/c1-5-3-19(16(26)18-13(5)22)8-2-6(17)7(28-8)4-27-11-9(20)12(14(23)24)29-15(25)10(11)21/h3,6-12,15,20-21,25H,2,4,17H2,1H3,(H,23,24)(H,18,22,26)/t6?,7?,8?,9-,10+,11-,12-,15?/m0/s1
InChIKeyRDVUSEMLHAXQRK-SMNQMHOSSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-Amino-3'-deoxythimidine glucuronide (CHEBI:176045) is a pyrimidine 2',3'-dideoxyribonucleoside (CHEBI:48441)
IUPAC Name 
(2S,3S,4S,5R)-4-[[3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3,5,6-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
35031779ChemSpider
HMDB0060751HMDB