EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:156045 - N-docosanoyltaurine

ChEBI IDCHEBI:156045
ChEBI NameN-docosanoyltaurine
Stars
ASCII NameN-docosanoyltaurine
DefinitionA fatty acid-taurine conjugate derived from docosanoic acid.
Last Modified6 July 2020
Submittermwilliams
DownloadsMolfile
FormulaC24H49NO4S
Net Charge0
Average Mass447.726
Monoisotopic Mass447.33823
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C24H49NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23-30(27,28)29/h2-23H2,1H3,(H,25,26)(H,27,28,29)
InChIKeySAIMYQVCHHQQMU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO_0000131) PubMed (29183656)
brain (BTO:0000142) PubMed (25457182)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyltaurine (CHEBI:156045) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyltaurine (CHEBI:156045) has role human metabolite (CHEBI:77746)
N-docosanoyltaurine (CHEBI:156045) is a fatty acid-taurine conjugate (CHEBI:132474)
N-docosanoyltaurine (CHEBI:156045) is conjugate acid of N-docosanoyltaurine(1−) (CHEBI:146196)
Incoming Relation(s)
N-docosanoyltaurine(1−) (CHEBI:146196) is conjugate base of N-docosanoyltaurine (CHEBI:156045)
IUPAC Name 
2-(docosanoylamino)ethanesulfonic acid
Synonyms  Source
2-[(1-oxodocosyl)amino]-ethanesulfonic acidChEBI
2-docosanamidoethane-1-sulfonic acidChEBI
2-(docosanoylamino)ethane-1-sulfonic acidIUPAC
C22:0 NATChEBI
N-docosanoyl taurineLIPID MAPS
N-docosanoyl-taurineLIPID MAPS
Manual XrefsDatabases
LMFA08020083LIPID MAPS
Registry NumbersSources
CAS:783284-48-0ChEBI
Citations