MiMeDB: Showing metabocard for N-(Eicosanoyl)-4-hydroxyeicosasphinganine (MMDBc0057204)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-11-09 20:28:47 UTC

Update Date

2022-11-09 20:28:47 UTC

MiMeDB ID

MMDBc0057204

Metabolite Identification

Common Name

N-(Eicosanoyl)-4-hydroxyeicosasphinganine

Description

N-(eicosanoyl)-4-hydroxyeicosasphinganine, also known as N-(eicosanoyl)-C20-phytosphingosine or cer(t20:0/20:0), belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. Thus, N-(eicosanoyl)-4-hydroxyeicosasphinganine is considered to be a ceramide. Based on a literature review very few articles have been published on N-(eicosanoyl)-4-hydroxyeicosasphinganine.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Cer(t20:0/20:0)	ChEBI
N-(Eicosanoyl)-4R-hydroxy-eicosasphinganine	ChEBI
N-(Eicosanoyl)-C20-phytosphingosine	ChEBI
N-(Icosanoyl)-4-hydroxyicosasphinganine	ChEBI
N-(Icosanoyl)-C20-phytosphingosine	ChEBI
N-[(2S,3S,4R)-1,3,4-Trihydroxyeicosan-2-yl]eicosanamide	ChEBI
PHC-b 20:0/20:0	ChEBI

Chemical Formula

C₄₀H₈₁NO₄

Average Molecular Weight

640.091

Monoisotopic Molecular Weight

639.616560092

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

ULHTVNDKYCKBOY-HIERITDVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Sphingolipids

Sub Class

Ceramides

Direct Parent

Phytoceramides

Alternative Parents

Substituents

N-acyl-4-hydroxysphinganine
Fatty amide
N-acyl-amine
Fatty acyl
Carboxamide group
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid derivative
Polyol
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Alcohol
Organic nitrogen compound
Carbonyl group
Primary alcohol
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

C20 phytoceramide (CHEBI:67000 )
N-acyl-4-hydroxysphinganines (phytoceramides) (LMSP02030011 )

Functional Ontology

Not Available

Physical Properties

State

Not Available

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

70678817

PDB ID

Not Available

ChEBI ID

67000

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for N-(Eicosanoyl)-4-hydroxyeicosasphinganine (MMDBc0057204)

MOL for #<Metabolite:0x00007f09201cc2c8>

3D MOL for #<Metabolite:0x00007f09201cc2c8>

3D SDF for #<Metabolite:0x00007f09201cc2c8>

3D-SDF for #<Metabolite:0x00007f09201cc2c8>

PDB for #<Metabolite:0x00007f09201cc2c8>

3D PDB for #<Metabolite:0x00007f09201cc2c8>

SMILES for #<Metabolite:0x00007f09201cc2c8>

INCHI for #<Metabolite:0x00007f09201cc2c8>

Structure for #<Metabolite:0x00007f09201cc2c8>

3D Structure for #<Metabolite:0x00007f09201cc2c8>