MiMeDB: Showing metabocard for CE(12:0) (MMDBc0047781)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 15:42:21 UTC

Update Date

2022-09-01 01:48:22 UTC

Metabolite ID

MMDBc0047781

Metabolite Identification

Common Name

CE(12:0)

Description

CE(12:0), also known as cholesteryl lauric acid, is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all body tissues, and transported in the blood plasma of all animals. The accumulation of cholesterol esters in the arterial intima (the innermost layer of an artery, in direct contact with the flowing blood) is a characteristic feature of atherosclerosis. Atherosclerosis is a disease affecting arterial blood vessels. It is a chronic inflammatory response in the walls of arteries, in large part to the deposition of lipoproteins (plasma proteins that carry cholesterol and triglycerides). Lauric acid greatly increases total cholesterol, but much of its effect is on HDL cholesterol. Consequently, oils rich in lauric acid decrease the ratio of total to HDL cholesterol. (PMID:12716665 , 8644684 , 10030391 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₃₉H₆₈O₂

Average Mass

568.956

Monoisotopic Mass

568.52193142

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33+,34-,35+,36+,38+,39-/m1/s1

InChI Key

RMLFYKFCGMSLTB-ZBDFTZOCSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Feces

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
MMDBp0191743	Phosphatidylcholine-sterol acyltransferase	Enzyme	P04180	Homo_sapiens
MMDBp0191897	Lysosomal acid lipase/cholesteryl ester hydrolase	Enzyme	P38571	Homo_sapiens
MMDBp0191911	Bile salt-activated lipase	Unknown	P19835	Homo_sapiens
MMDBp0192154	Liver carboxylesterase 1	Enzyme	P23141	Homo_sapiens
MMDBp0192156	Sterol O-acyltransferase 2	Enzyme	O75908	Homo_sapiens
MMDBp0192159	Sterol O-acyltransferase 1	Enzyme	P35610	Homo_sapiens
MMDBp0193462	Scavenger receptor class B member 1	Enzyme	Q8WTV0	Homo_sapiens
MMDBp0196462	Neutral cholesterol ester hydrolase 1	Enzyme	Q6PIU2	Homo_sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated 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	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

Not Available

General References

Temme EH, Mensink RP, Hornstra G: Comparison of the effects of diets enriched in lauric, palmitic, or oleic acids on serum lipids and lipoproteins in healthy women and men. Am J Clin Nutr. 1996 Jun;63(6):897-903. doi: 10.1093/ajcn/63.6.897. [PubMed:8644684 ]
Lagrost L, Mensink RP, Guyard-Dangremont V, Temme EH, Desrumaux C, Athias A, Hornstra G, Gambert P: Variations in serum cholesteryl ester transfer and phospholipid transfer activities in healthy women and men consuming diets enriched in lauric, palmitic or oleic acids. Atherosclerosis. 1999 Feb;142(2):395-402. doi: 10.1016/s0021-9150(98)00244-5. [PubMed:10030391 ]
Mensink RP, Zock PL, Kester AD, Katan MB: Effects of dietary fatty acids and carbohydrates on the ratio of serum total to HDL cholesterol and on serum lipids and apolipoproteins: a meta-analysis of 60 controlled trials. Am J Clin Nutr. 2003 May;77(5):1146-55. doi: 10.1093/ajcn/77.5.1146. [PubMed:12716665 ]

Showing metabocard for CE(12:0) (MMDBc0047781)

MOL for #<Metabolite:0x00007f1240ba4bf0>

3D MOL for #<Metabolite:0x00007f1240ba4bf0>

3D SDF for #<Metabolite:0x00007f1240ba4bf0>

3D-SDF for #<Metabolite:0x00007f1240ba4bf0>

PDB for #<Metabolite:0x00007f1240ba4bf0>

3D PDB for #<Metabolite:0x00007f1240ba4bf0>

SMILES for #<Metabolite:0x00007f1240ba4bf0>

INCHI for #<Metabolite:0x00007f1240ba4bf0>

Structure for #<Metabolite:0x00007f1240ba4bf0>

3D Structure for #<Metabolite:0x00007f1240ba4bf0>