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CHEBI:233338 - heptanone-1,N6-etheno-2'-deoxyadenosine

ChEBI IDCHEBI:233338
ChEBI Nameheptanone-1,N6-etheno-2'-deoxyadenosine
Stars
ASCII Nameheptanone-1,N(6)-etheno-2'-deoxyadenosine
DefinitionA purine 2'-deoxyribonucleoside adduct formed by condensation of 4-oxo-2-nonenal with deoxyadenosine.
Submitternhn
DownloadsMolfile
FormulaC19H25N5O4
Net Charge0
Average Mass387.440
Monoisotopic Mass387.19065
SMILESCCCCCC(=O)Cc1cnc2c3ncn([C@H]4C[C@H](O)[C@@H](CO)O4)c3ncn12
InChIInChI=1S/C19H25N5O4/c1-2-3-4-5-13(26)6-12-8-20-18-17-19(22-11-23(12)18)24(10-21-17)16-7-14(27)15(9-25)28-16/h8,10-11,14-16,25,27H,2-7,9H2,1H3/t14-,15+,16+/m0/s1
InChIKeyRVCFSFNCHSAGKY-ARFHVFGLSA-N
ChEBI Ontology
Outgoing Relation(s)
heptanone-1,N6-etheno-2'-deoxyadenosine (CHEBI:233338) is a purine 2'-deoxyribonucleoside (CHEBI:19254)
Synonym  Source
ONEdASUBMITTER
UniProt Name  Source
7-(2'-oxo-heptyl)-1,N6-etheno-2'-deoxyadenosineUniProt
Citations