Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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 (Br
o
nsted 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