CHEBI:186197 - CAY10591

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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 CAY10591
ChEBI ID CHEBI:186197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25N5O2
Net Charge 0
Average Mass 367.453
Monoisotopic Mass 367.20083
InChI InChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)
InChIKey VNOFYGGJZCEPAH-UHFFFAOYSA-N
SMILES O=C(NC1CCCC1)C2=C(N(C3=NC=4C(N=C23)=CC=CC4)CCCOC)N
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing CAY10591 (CHEBI:186197) is a quinoxaline derivative (CHEBI:38771)
IUPAC Name
2-amino-N-cyclopentyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Manual Xref Database
1453459 ChemSpider
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