CHEBI:202558 - Dnacin A1

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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 Dnacin A1
ChEBI ID CHEBI:202558
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H23N5O4
Net Charge 0
Average Mass 397.435
Monoisotopic Mass 397.17500
InChI InChI=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
InChIKey TWRFZLWJOXKOBK-UHFFFAOYSA-N
SMILES O=C1C(N)=CC(=O)C2=C1C(N3C(C#N)C4CC5C6N(C2C3C5N4C)CCO6)CO
Metabolite of Species Details
Nocardia (NCBI:txid1817) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
9916214 ChemSpider
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