CHEBI:185642 - BW A868C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 BW A868C
ChEBI ID CHEBI:185642
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H37N3O5
Net Charge 0
Average Mass 459.587
Monoisotopic Mass 459.27332
InChI InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20-22,26,29H,1-2,4,7-10,13-18H2,(H,30,31)
InChIKey YZJVWSKJHGEIBL-UHFFFAOYSA-N
SMILES OC(C1CCCCC1)CNN2C(CCCCCCC(O)=O)C(=O)N(C2=O)CC3=CC=CC=C3
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 BW A868C (CHEBI:185642) is a imidazolidine-2,4-dione (CHEBI:24628)
IUPAC Name
7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Manual Xref Database
108844 ChemSpider
View more database links
Registry Number Type Source
118675-50-6 CAS Registry Number ChemIDplus