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CHEBI:233180 - M3Ade

ChEBI IDCHEBI:233180
ChEBI NameM3Ade
Stars
ASCII NameM3Ade
DefinitionA carbonyl adduct of adenine composed of an adenine modified by a malondialdehyde trimer.
Last Modified29 January 2025
Submitternhn
DownloadsMolfile
FormulaC14H11N5O3
Net Charge0
Average Mass297.274
Monoisotopic Mass297.08619
SMILESO=CC1=COC2CC1C(C=O)=CN2c1ncnc2ncnc12
InChIInChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)
InChIKeyJDSDLPGCRCFXJZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
M3Ade (CHEBI:233180) has functional parent adenine (CHEBI:16708)
M3Ade (CHEBI:233180) is a dialdehyde (CHEBI:38124)
Synonyms  Source
3:1 MDA-adenine adductSUBMITTER
M3ASUBMITTER
UniProt Name  Source
8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehydeUniProt
Citations