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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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. 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 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 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