CHEBI:188061 - URB597

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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 URB597
ChEBI ID CHEBI:188061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22N2O3
Net Charge 0
Average Mass 338.407
Monoisotopic Mass 338.16304
InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
InChIKey ROFVXGGUISEHAM-UHFFFAOYSA-N
SMILES O(C(=O)NC1CCCCC1)C=2C=C(C3=CC(=CC=C3)C(=O)N)C=CC2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing URB597 (CHEBI:188061) is a biphenyls (CHEBI:22888)
IUPAC Name
[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate
Manual Xref Database
1156960 ChemSpider
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Registry Number Type Source
546141-08-6 CAS Registry Number ChemIDplus