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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-palmitoyl-alpha,O-dimethyl-L-tyrosine
ChEBI ID CHEBI:210047
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H45NO4
Net Charge 0
Average Mass 447.660
Monoisotopic Mass 447.33486
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
SMILES O=C(O)[C@@](NC(=O)CCCCCCCCCCCCCCC)(CC1=CC=C(OC)C=C1)C
Metabolite of Species Details
Alteromonasspecies RKMC-009 (NCBI:txid2267264) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
113371163 ChemSpider
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