CHEBI:197589 - Kipukasin I

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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 I
ChEBI ID CHEBI:197589
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20N2O9
Net Charge 0
Average Mass 408.363
Monoisotopic Mass 408.11688
InChI InChI=1S/C18H20N2O9/c1-8-5-9(22)6-10(27-2)13(8)17(25)29-15-11(7-21)28-16(14(15)24)20-4-3-12(23)19-18(20)26/h3-6,11,14-16,21-22,24H,7H2,1-2H3,(H,19,23,26)/t11-,14-,15-,16-/m1/s1
InChIKey LOUBNBRAJPSMEC-RAEVTNRLSA-N
SMILES O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](CO)[C@H]([C@H]2O)OC(=O)C3=C(OC)C=C(O)C=C3C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: PubMed
ChEBI Ontology
Outgoing Kipukasin I (CHEBI:197589) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate
Manual Xref Database
32675035 ChemSpider
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