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CHEBI:209478 - N-[(Z)-hexadec-9-enoyl]-2-aminobutyric acid methyl ester (C16:1-NABME)

ChEBI IDCHEBI:209478
ChEBI NameN-[(Z)-hexadec-9-enoyl]-2-aminobutyric acid methyl ester (C16:1-NABME)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H39NO3
Net Charge0
Average Mass353.547
Monoisotopic Mass353.29299
SMILESCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC)C(=O)OC
InChIInChI=1S/C21H39NO3/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/h10-11,19H,4-9,12-18H2,1-3H3,(H,22,23)/b11-10-/t19-/m0/s1
InChIKeyYRYSGQMHUIAXPV-GDWUOILNSA-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-[(Z)-hexadec-9-enoyl]-2-aminobutyric acid methyl ester (C16:1-NABME) (CHEBI:209478) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 2-[[(Z)-hexadec-9-enoyl]amino]butanoate
Manual XrefsDatabases
71048545ChemSpider