CHEBI:28123 - diethanolamine

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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
Supplier Information ChemicalBook:CB5852839, ChemicalBook:CB2506339, eMolecules:483433, ZINC000005975487
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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 (Bronsted acid).
(via organic amino compound )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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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
H2dea 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
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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 Waiting for 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