CHEBI:184040 - Dg-c8-aac

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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 Dg-c8-aac
ChEBI ID CHEBI:184040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20N8O4
Net Charge 0
Average Mass 448.443
Monoisotopic Mass 448.16075
InChI InChI=1S/C21H20N8O4/c22-20-27-18-16(19(32)28-20)26-21(29(18)15-7-12(31)13(8-30)33-15)25-14-6-5-10-9-3-1-2-4-11(9)23-17(10)24-14/h1-6,12-13,15,30-31H,7-8H2,(H3,22,27,28,32)(H2,23,24,25,26)
InChIKey ZRBVUIRPSABEGI-UHFFFAOYSA-N
SMILES O1C(N2C=3N=C(NC(=O)C3N=C2NC4=NC=5NC=6C(C5C=C4)=CC=CC6)N)CC(O)C1CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Dg-c8-aac (CHEBI:184040) is a purine 2'-deoxyribonucleoside (CHEBI:19254)
IUPAC Name
2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(9H-pyrido[2,3-b]indol-2-ylamino)-1H-purin-6-one
Manual Xref Database
28574893 ChemSpider
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