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CHEBI:209484 - N-[(Z)-hexadec-9-enoyl]valine methyl ester (Z9-C16:1-NAVME)

ChEBI IDCHEBI:209484
ChEBI NameN-[(Z)-hexadec-9-enoyl]valine methyl ester (Z9-C16:1-NAVME)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H41NO3
Net Charge0
Average Mass367.574
Monoisotopic Mass367.30864
SMILESCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)OC)C(C)C
InChIInChI=1S/C22H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-21(19(2)3)22(25)26-4/h10-11,19,21H,5-9,12-18H2,1-4H3,(H,23,24)/b11-10-/t21-/m0/s1
InChIKeyPWRDPNAWRNTGJU-XPTLAUCJSA-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]valine methyl ester (Z9-C16:1-NAVME) (CHEBI:209484) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 2-[[(Z)-hexadec-9-enoyl]amino]-3-methylbutanoate
Manual XrefsDatabases
71048546ChemSpider