CHEBI:131695 - N-oleoylthreonine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-oleoylthreonine
ChEBI ID CHEBI:131695
ChEBI ASCII Name N-oleoylthreonine
Definition An N-acyl-L-amino acid obtained by formal condensation of the carboxy group of oleic acid with the amino group of L-threonine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H41NO4
Net Charge 0
Average Mass 383.566
Monoisotopic Mass 383.30356
InChI InChI=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
InChIKey NEMXEZCVUJCXDQ-PCXBEVNGSA-N
SMILES C(CCCCCCC/C=C\CCCCCCCC)(N[C@H](C(O)=O)[C@H](O)C)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
N-(9Z-octadecenoyl)-threonine LIPID MAPS
N-oleoyl-L-threonine ChEBI
Manual Xref Database
LMFA08020108 LIPID MAPS
View more database links
Registry Number Type Source
20745804 Reaxys Registry Number Reaxys
Last Modified
17 November 2016