CHEBI:198865 - A-500359 H

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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 A-500359 H
ChEBI ID CHEBI:198865
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H19N3O12
Net Charge 0
Average Mass 445.337
Monoisotopic Mass 445.09687
InChI InChI=1S/C16H19N3O12/c17-12(25)11(31-15-7(22)4(20)3-5(29-15)14(26)27)10-8(23)9(24)13(30-10)19-2-1-6(21)18-16(19)28/h1-4,7-11,13,15,20,22-24H,(H2,17,25)(H,26,27)(H,18,21,28)/t4-,7+,8+,9-,10?,11+,13-,15+/m1/s1
InChIKey IHFPUFPCUYMJRS-JPNWODIXSA-N
SMILES O=C1N(C=CC(N1)=O)[C@@H]2OC([C@H](O[C@@H]3OC(C(=O)O)=C[C@H]([C@@H]3O)O)C(=O)N)[C@H]([C@H]2O)O
Metabolite of Species Details
Streptomyces griseus (NCBI:txid1911) See: PubMed
ChEBI Ontology
Outgoing A-500359 H (CHEBI:198865) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name
(2R,3S,4R)-2-[(1S)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Manual Xref Database
78436416 ChemSpider
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