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CHEBI:209472 - N-(hexadecanoyl)-2-aminobutyric acid methyl ester (C16:0-NABME)

ChEBI IDCHEBI:209472
ChEBI NameN-(hexadecanoyl)-2-aminobutyric acid methyl ester (C16:0-NABME)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H41NO3
Net Charge0
Average Mass355.563
Monoisotopic Mass355.30864
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CC)C(=O)OC
InChIInChI=1S/C21H41NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(5-2)21(24)25-3/h19H,4-18H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyMMJNWDXFGZQTMI-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Roseovariusspecies D12_1.68 (ncbitaxon:1537244) - PubMed (30591820)
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-(hexadecanoyl)-2-aminobutyric acid methyl ester (C16:0-NABME) (CHEBI:209472) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 2-(hexadecanoylamino)butanoate
Manual XrefsDatabases
71048544ChemSpider