N-palmitoyl-alpha,O-dimethyl-L-tyrosine (CHEBI:210047)

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CHEBI:210047 - N-palmitoyl-alpha,O-dimethyl-L-tyrosine

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ChEBI ID	CHEBI:210047
ChEBI Name	N-palmitoyl-alpha,O-dimethyl-L-tyrosine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H45NO4
Net Charge	0
Average Mass	447.660
Monoisotopic Mass	447.33486
SMILES	CCCCCCCCCCCCCCCC(=O)N[C@@](C)(Cc1ccc(OC)cc1)C(=O)O
InChI	InChI=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
InChIKey	PDVOGCLXKASLHC-MHZLTWQESA-N

Species of Metabolite	Component	Source	Comments
Alteromonasspecies RKMC-009 (ncbitaxon:2267264)	-	PubMed (31524403)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	N-palmitoyl-alpha,O-dimethyl-L-tyrosine (CHEBI:210047) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2S)-2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid

Manual Xrefs	Databases
113371163	ChemSpider