EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28123 - diethanolamine

ChEBI IDCHEBI:28123
ChEBI Namediethanolamine
Stars
DefinitionA member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.
Secondary ChEBI IDsCHEBI:4519, CHEBI:23706
Last Modified25 February 2016
DownloadsMolfile
FormulaC4H11NO2
Net Charge0
Average Mass105.137
Monoisotopic Mass105.07898
SMILESOCCNCCO
InChIInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKeyZBCBWPMODOFKDW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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  Source
DiethanolamineKEGG COMPOUND
diethanolamineIUPAC
H2deaIUPAC
bis-(2-hydroxy-ethyl)-amineChEBI
diolamineChemIDplus
N,N-di(hydroxyethyl)amineChemIDplus
Manual XrefsDatabases
C06772KEGG COMPOUND
C06772KEGG COMPOUND
c0589UM-BBD
HMDB0004437HMDB
DiethanolamineWikipedia
D02337KEGG DRUG
LSM-26236LINCS
Registry NumbersSources
Reaxys:605315Reaxys
CAS:111-42-2KEGG COMPOUND
CAS:111-42-2ChemIDplus
Citations