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CHEBI:231299 - 3-Deazaneplanocin A

ChEBI IDCHEBI:231299
ChEBI Name3-Deazaneplanocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14N4O3
Net Charge0
Average Mass262.269
Monoisotopic Mass262.10659
SMILESNc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1
InChIKeyOMKHWTRUYNAGFG-IEBDPFPHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
3-Deazaneplanocin A (CHEBI:231299) is a imidazopyridine (CHEBI:46908)
IUPAC Name 
(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Manual XrefsDatabases
65874ChemSpider