MiMeDB: Showing metabocard for (R)-3-Hydroxy-tetradecanoic acid (MMDBc0047815)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 15:44:03 UTC

Update Date

2024-10-13 10:08:55 UTC

Metabolite ID

MMDBc0047815

Metabolite Identification

Common Name

(R)-3-Hydroxy-tetradecanoic acid

Description

In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxy-tetradecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxy-tetradecanoic acid is converted from 3-Oxo-tetradecanoic acid via fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. (EC: 2.3.1.85 and EC:2.3.1.41).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(R)-3-Hydroxy-tetradecanoate	Generator
(-)-3-Hydroxymyristic acid	HMDB
(3R)-Hydroxymyristic acid	HMDB
(R)-(-)-3-Hydroxytetradecanoic acid	HMDB
(R)-3-Hydroxymyristic acid	HMDB
beta-Hydroxymyristic acid	HMDB
beta-Hydroxytetradecanoic acid	HMDB
D-(-)-beta-Hydroxymyristic acid	HMDB
(-)-3-Hydroxymyristate	HMDB
(3R)-Hydroxymyristate	HMDB
(R)-(-)-3-Hydroxytetradecanoate	HMDB
(R)-3-Hydroxymyristate	HMDB
b-Hydroxymyristate	HMDB
b-Hydroxymyristic acid	HMDB
beta-Hydroxymyristate	HMDB
Β-hydroxymyristate	HMDB
Β-hydroxymyristic acid	HMDB
b-Hydroxytetradecanoate	HMDB
b-Hydroxytetradecanoic acid	HMDB
beta-Hydroxytetradecanoate	HMDB
Β-hydroxytetradecanoate	HMDB
Β-hydroxytetradecanoic acid	HMDB
D-(-)-b-Hydroxymyristate	HMDB
D-(-)-b-Hydroxymyristic acid	HMDB
D-(-)-beta-Hydroxymyristate	HMDB
D-(-)-Β-hydroxymyristate	HMDB
D-(-)-Β-hydroxymyristic acid	HMDB
(R)-3-Hydroxytetradecanoic acid	HMDB
(R)-3-Hydroxytetradecanoate	HMDB

Molecular Formula

C₁₄H₂₈O₃

Average Mass

244.3703

Monoisotopic Mass

244.203844762

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1

InChI Key

ATRNZOYKSNPPBF-CYBMUJFWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Hydroxy fatty acid
Beta-hydroxy acid
Hydroxy acid
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

(3R)-3-hydroxy fatty acid (CHEBI:42539 )
3-hydroxytetradecanoic acid (CHEBI:42539 )
Hydroxy fatty acids (LMFA01050322 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191709	Fatty acid synthase	Enzyme	P49327	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

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

External Links

HMDB ID

HMDB0010731

DrugBank ID

DB02767

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB027878

KNApSAcK ID

Not Available

Chemspider ID

4450466

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5288266

PDB ID

FTT

ChEBI ID

42539

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. doi: 10.1038/35036052. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. doi: 10.1194/jlr.R600022-JLR200. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. doi: 10.1194/jlr.R700005-JLR200. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for (R)-3-Hydroxy-tetradecanoic acid (MMDBc0047815)

MOL for #<Metabolite:0x00007fdb3d604a58>

3D MOL for #<Metabolite:0x00007fdb3d604a58>

3D SDF for #<Metabolite:0x00007fdb3d604a58>

3D-SDF for #<Metabolite:0x00007fdb3d604a58>

PDB for #<Metabolite:0x00007fdb3d604a58>

3D PDB for #<Metabolite:0x00007fdb3d604a58>

SMILES for #<Metabolite:0x00007fdb3d604a58>

INCHI for #<Metabolite:0x00007fdb3d604a58>

Structure for #<Metabolite:0x00007fdb3d604a58>

3D Structure for #<Metabolite:0x00007fdb3d604a58>