CHEBI:185920 - CAY10401

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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 CAY10401
ChEBI ID CHEBI:185920
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34N2O2
Net Charge 0
Average Mass 382.548
Monoisotopic Mass 382.26203
InChI InChI=1S/C24H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h17,19-20H,2-8,11-16,18H2,1H3
InChIKey DBMKKVSGBYKSFI-UHFFFAOYSA-N
SMILES O1C(=NC=2N=CC=CC12)C(=O)CCCCCCCC#CCCCCCCCC
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 CAY10401 (CHEBI:185920) is a oxazolopyridine (CHEBI:38765)
IUPAC Name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octadec-9-yn-1-one
Manual Xref Database
8152806 ChemSpider
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