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CHEBI:131695 - N-oleoylthreonine

ChEBI IDCHEBI:131695
ChEBI NameN-oleoylthreonine
Stars
ASCII NameN-oleoylthreonine
DefinitionAn N-acyl-L-amino acid obtained by formal condensation of the carboxy group of oleic acid with the amino group of L-threonine.
Last Modified17 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC22H41NO4
Net Charge0
Average Mass383.573
Monoisotopic Mass383.30356
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25)23-21(19(2)24)22(26)27/h10-11,19,21,24H,3-9,12-18H2,1-2H3,(H,23,25)(H,26,27)/b11-10-/t19-,21+/m1/s1
InChIKeyNEMXEZCVUJCXDQ-PCXBEVNGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS334)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-oleoylthreonine (CHEBI:131695) has functional parent oleic acid (CHEBI:16196)
N-oleoylthreonine (CHEBI:131695) has role mouse metabolite (CHEBI:75771)
N-oleoylthreonine (CHEBI:131695) is a N-acyl-L-amino acid (CHEBI:21644)
N-oleoylthreonine (CHEBI:131695) is a L-threonine derivative (CHEBI:84189)
IUPAC Name 
N-[(9Z)-octadec-9-enoyl]-L-threonine
Synonyms  Source
N-oleoyl-L-threonineChEBI
N-(9Z-octadecenoyl)-threonineLIPID MAPS
Manual XrefsDatabases
LMFA08020108LIPID MAPS
Registry NumbersSources
Reaxys:20745804Reaxys