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CHEBI:165541 - N-Oleoyl alanine

ChEBI IDCHEBI:165541
ChEBI NameN-Oleoyl alanine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H39NO3
Net Charge0
Average Mass353.547
Monoisotopic Mass353.29299
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25)/b11-10-/t19-/m0/s1
InChIKeyCHQZBIVWDKADIA-GDWUOILNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Oleoyl alanine (CHEBI:165541) is a N-acyl-L-amino acid (CHEBI:21644)
N-Oleoyl alanine (CHEBI:165541) is conjugate acid of N-oleoyl-L-alaninate (CHEBI:196966)
Incoming Relation(s)
N-oleoyl-L-alaninate (CHEBI:196966) is conjugate base of N-Oleoyl alanine (CHEBI:165541)
IUPAC Name 
(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid
Manual XrefsDatabases
LMFA08020124LIPID MAPS
23283780ChemSpider