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CHEBI:165559 - N-Palmitoyl threonine

ChEBI IDCHEBI:165559
ChEBI NameN-Palmitoyl threonine
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SubmitterMetaboLights
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FormulaC20H39NO4
Net Charge0
Average Mass357.535
Monoisotopic Mass357.28791
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C20H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)21-19(17(2)22)20(24)25/h17,19,22H,3-16H2,1-2H3,(H,21,23)(H,24,25)/t17-,19+/m1/s1
InChIKeyJOIXCEREMHWULC-MJGOQNOKSA-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-Palmitoyl threonine (CHEBI:165559) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoic acid
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