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CHEBI:202558 - Dnacin A1

ChEBI IDCHEBI:202558
ChEBI NameDnacin A1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23N5O4
Net Charge0
Average Mass397.435
Monoisotopic Mass397.17500
SMILESCN1C2CC3C1C1C(C4=C(C(=O)C(N)=CC4=O)C(CO)N1C2C#N)N1CCOC31
InChIInChI=1S/C20H23N5O4/c1-23-10-4-8-16(23)18-17(24-2-3-29-20(8)24)15-13(27)5-9(22)19(28)14(15)12(7-26)25(18)11(10)6-21/h5,8,10-12,16-18,20,26H,2-4,7,22H2,1H3
InChIKeyTWRFZLWJOXKOBK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (7251488)
ChEBI Ontology
Outgoing Relation(s)
Dnacin A1 (CHEBI:202558) is a isoquinolines (CHEBI:24922)
IUPAC Name 
13-amino-16-(hydroxymethyl)-20-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile
Manual XrefsDatabases
9916214ChemSpider