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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:28123 - diethanolamine
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ChEBI Ontology
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ChEBI Name
diethanolamine
ChEBI ID
CHEBI:28123
Definition
A member of the class of ethanolamines that is ethanolamine having a
N
-hydroxyethyl substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:4519, CHEBI:23706
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Formula
C4H11NO2
Net Charge
0
Average Mass
105.13568
Monoisotopic Mass
105.07898
InChI
InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKey
ZBCBWPMODOFKDW-UHFFFAOYSA-N
SMILES
OCCNCCO
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):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
diethanolamine (
CHEBI:28123
)
has functional parent
ethanolamine (
CHEBI:16000
)
diethanolamine (
CHEBI:28123
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
diethanolamine (
CHEBI:28123
)
is a
ethanolamines (
CHEBI:23981
)
IUPAC Name
2,2'-iminodiethanol
Synonyms
Sources
bis-(2-hydroxy-ethyl)-amine
ChEBI
Diethanolamine
KEGG COMPOUND
diethanolamine
IUPAC
diolamine
ChemIDplus
H
2
dea
IUPAC
N
,
N
-di(hydroxyethyl)amine
ChemIDplus
Manual Xrefs
Databases
c0589
UM-BBD
C06772
KEGG COMPOUND
D02337
KEGG DRUG
Diethanolamine
Wikipedia
HMDB0004437
HMDB
LSM-26236
LINCS
View more database links
Registry Numbers
Types
Sources
111-42-2
CAS Registry Number
KEGG COMPOUND
111-42-2
CAS Registry Number
ChemIDplus
605315
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12571685
PubMed citation
Europe PMC
15304302
PubMed citation
Europe PMC
23567043
PubMed citation
Europe PMC
24275050
PubMed citation
Europe PMC
Last Modified
25 February 2016