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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:24:15 UTC
Update Date2022-03-07 02:56:45 UTC
HMDB IDHMDB0040815
Secondary Accession Numbers
  • HMDB40815
Metabolite Identification
Common NameNb-Palmitoyltryptamine
DescriptionNb-Palmitoyltryptamine belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Nb-Palmitoyltryptamine has been detected, but not quantified in, alcoholic beverages and fruits. This could make NB-palmitoyltryptamine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Nb-Palmitoyltryptamine.
Structure
Thumb
Synonyms
ValueSource
N-PalmitoyltryptamineChEMBL, HMDB
NB-HexadecanoyltryptamineHMDB
N-[2-(1H-indol-3-yl)Ethyl]hexadecanimidateGenerator
Chemical FormulaC26H42N2O
Average Molecular Weight398.6245
Monoisotopic Molecular Weight398.329713976
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]hexadecanamide
Traditional NameN-[2-(1H-indol-3-yl)ethyl]hexadecanamide
CAS Registry Number21469-15-8
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2
InChI Identifier
InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)
InChI KeyYZWBXGMMZOEBAN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndoles
Direct Parent3-alkylindoles
Alternative Parents
Substituents
  • 3-alkylindole
  • Fatty amide
  • N-acyl-amine
  • Substituted pyrrole
  • Benzenoid
  • Fatty acyl
  • Pyrrole
  • Heteroaromatic compound
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Azacycle
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB020631
KNApSAcK IDC00026909
Chemspider ID2957210
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3726592
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .