CHEBI:202267 - Kipukasin A

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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 Kipukasin A
ChEBI ID CHEBI:202267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24N2O10
Net Charge 0
Average Mass 464.427
Monoisotopic Mass 464.14309
InChI InChI=1S/C21H24N2O10/c1-10-7-12(29-3)8-13(30-4)16(10)20(27)33-17-14(9-24)32-19(18(17)31-11(2)25)23-6-5-15(26)22-21(23)28/h5-8,14,17-19,24H,9H2,1-4H3,(H,22,26,28)/t14-,17-,18-,19-/m1/s1
InChIKey MAWCJLLSYLMLHT-UTRMSSBJSA-N
SMILES O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](CO)[C@H]([C@H]2OC(=O)C)OC(=O)C3=C(OC)C=C(OC)C=C3C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: PubMed
ChEBI Ontology
Outgoing Kipukasin A (CHEBI:202267) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name
[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 2,4-dimethoxy-6-methylbenzoate
Manual Xref Database
22842430 ChemSpider
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