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CHEBI:190913 - 3'-Azido-3'-deoxy-5'-O-beta-D-glucopyranuronosylthymidine

ChEBI IDCHEBI:190913
ChEBI Name3'-Azido-3'-deoxy-5'-O-beta-D-glucopyranuronosylthymidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21N5O10
Net Charge0
Average Mass443.369
Monoisotopic Mass443.12884
SMILESCc1cn(C2CC(N=[N+]=[N-])[C@@H](COC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1=O
InChIInChI=1S/C16H21N5O10/c1-5-3-21(16(28)18-13(5)25)8-2-6(19-20-17)7(30-8)4-29-15-11(24)9(22)10(23)12(31-15)14(26)27/h3,6-12,15,22-24H,2,4H2,1H3,(H,26,27)(H,18,25,28)/t6?,7-,8?,9+,10+,11-,12+,15?/m1/s1
InChIKeyNFXAJWJJNLWLOV-OTQDERTISA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3'-Azido-3'-deoxy-5'-O-beta-D-glucopyranuronosylthymidine (CHEBI:190913) is a pyrimidine 2',3'-dideoxyribonucleoside (CHEBI:48441)
IUPAC Name 
(2S,3S,4S,5R)-6-[[(2S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060752HMDB
94832ChemSpider