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CHEBI:221498 - 2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid

ChEBI IDCHEBI:221498
ChEBI Name2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45NO4
Net Charge0
Average Mass447.660
Monoisotopic Mass447.33486
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@](C)(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)28-27(2,26(30)31)22-23-18-20-24(32-3)21-19-23/h18-21H,4-17,22H2,1-3H3,(H,28,29)(H,30,31)/t27-/m0/s1
InChIKeyPDVOGCLXKASLHC-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Alteromonasspecies RKMC-009 (ncbitaxon:2267264) - PubMed (31524403)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid (CHEBI:221498) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid