CHEBI:6005 - Isoetharine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isoetharine
ChEBI ID CHEBI:6005
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C13H21NO3
C13H21NO3
Net Charge 0
Average Mass 239.311
Monoisotopic Mass 239.15214
InChI InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
InChIKey HUYWAWARQUIQLE-UHFFFAOYSA-N
SMILES CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): molecular messenger

(via monoamine molecular messenger )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Isoetharine (CHEBI:6005) is a catecholamine (CHEBI:33567)
Synonyms Sources
etyprenaline DrugCentral
isoctarine DrugCentral
isoetarin DrugCentral
Isoetharine KEGG COMPOUND
isoetharine DrugCentral
isoetharine HCl DrugCentral
isoetharine hydrochloride DrugCentral
isoetharine mesilate DrugCentral
isoetharine mesylate DrugCentral
isoetharine mesylate salt DrugCentral
isothurin DrugCentral
Manual Xrefs Databases
1491 DrugCentral
C07053 KEGG COMPOUND
D04625 KEGG DRUG
HMDB0014366 HMDB
LSM-4374 LINCS
View more database links
Registry Number Type Source
530-08-5 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017