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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3'-Amino-3'-deoxythimidine glucuronide
ChEBI ID CHEBI:176045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H23N3O10
Net Charge 0
Average Mass 417.371
Monoisotopic Mass 417.13834
InChI InChI=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
InChIKey RDVUSEMLHAXQRK-SMNQMHOSSA-N
SMILES O1C(C(N)CC1N2C=C(C(=O)NC2=O)C)CO[C@H]3[C@H](O)[C@H](OC(O)[C@@H]3O)C(O)=O
ChEBI Ontology
Outgoing 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 Xrefs Databases
35031779 ChemSpider
HMDB0060751 HMDB
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