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CHEBI:146206 - N-oleoyltaurine

ChEBI IDCHEBI:146206
ChEBI NameN-oleoyltaurine
Stars
ASCII NameN-oleoyltaurine
DefinitionA fatty acid-taurine conjugate derived from oleic acid.
Last Modified20 February 2020
SubmitterAdnan
DownloadsMolfile
FormulaC20H39NO4S
Net Charge0
Average Mass389.602
Monoisotopic Mass389.25998
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25)/b10-9-
InChIKeyKOGRJTUIKPMZEJ-KTKRTIGZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood serum (BTO:0000133) PubMed (29878065)
blood plasma (BTO_0000131) PubMed (31740614)
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
N-oleoyltaurine (CHEBI:146206) has functional parent oleic acid (CHEBI:16196)
N-oleoyltaurine (CHEBI:146206) has role antineoplastic agent (CHEBI:35610)
N-oleoyltaurine (CHEBI:146206) has role apoptosis inducer (CHEBI:68495)
N-oleoyltaurine (CHEBI:146206) has role human blood serum metabolite (CHEBI:85234)
N-oleoyltaurine (CHEBI:146206) is a fatty acid-taurine conjugate (CHEBI:132474)
N-oleoyltaurine (CHEBI:146206) is conjugate acid of N-oleoyltaurine(1−) (CHEBI:146191)
Incoming Relation(s)
N-oleoyltaurine(1−) (CHEBI:146191) is conjugate base of N-oleoyltaurine (CHEBI:146206)
IUPAC Name 
2-[(9Z)-octadec-9-enoylamino]ethanesulfonic acid
Synonyms  Source
oleoyltaurineChemIDplus
2-{[(9Z)-octadec-9-enoyl]amino}ethane-1-sulfonic acidIUPAC
2-[(1-oxo-9Z-octadecenyl)amino]-ethanesulfonic acidChEBI
N-oleoyl taurineLIPID MAPS
N-(9Z-octadecenoyl)-taurineLIPID MAPS
Manual XrefsDatabases
LMFA08020081LIPID MAPS
Registry NumbersSources
CAS:52514-04-2ChemIDplus
Citations