MiMeDB: Showing metabocard for Stearoyl-CoA (MMDBc0030338)

Plant

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:04:09 UTC

Update Date

2022-12-15 22:51:49 UTC

Metabolite ID

MMDBc0030338

Metabolite Identification

Common Name

Stearoyl-CoA

Description

Stearoyl-CoA is derived from stearic acid, which is a saturated fatty acid consisting of 18 carbons. Stearoyl-CoA is a long-chain acyl CoA ester that acts as an intermediate metabolite in the biosynthesis of monounsaturated fatty acids. Stearoyl-CoA is converted into oleoyl-CoA and then used as a major substrate for the synthesis of various kinds of lipids including phospholipids, triglycerides, cholesteryl esters and wax esters. There is growing recognition that acyl-CoA esters could act as signaling molecules in cellular metabolism. (HMDB)

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₃₉H₇₀N₇O₁₇P₃S

Average Mass

1033.996

Monoisotopic Mass

1033.376174075

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

362-66-3

SMILES

Not Available

InChI Identifier

InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34?,38-/m1/s1

InChI Key

SIARJEKBADXQJG-KBEKLFCESA-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

Cytoplasm
Extracellular
Membrane
Mitochondria
Peroxisome

Biospecimen Locations

Adipose Tissue
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

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
Bacteria	Proteobacteria	182	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	391	Human feces; Human pleural fluid plaque; Pig ; Human ; Cattle	Metabolic reconstruction
Bacteria	Actinobacteria	128	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5	Human feces; Cattle ; Human	Metabolic reconstruction
Bacteria	Candidatus Melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces	Unknown

Exposure Sources

Food Exposures

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
Human Adipose Tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

Not Available

General References

Sonnino S, Chigorno V: Ganglioside molecular species containing C18- and C20-sphingosine in mammalian nervous tissues and neuronal cell cultures. Biochim Biophys Acta. 2000 Sep 18;1469(2):63-77. doi: 10.1016/s0005-2736(00)00210-8. [PubMed:10998569 ]
Miyazaki M, Ntambi JM: Role of stearoyl-coenzyme A desaturase in lipid metabolism. Prostaglandins Leukot Essent Fatty Acids. 2003 Feb;68(2):113-21. doi: 10.1016/s0952-3278(02)00261-2. [PubMed:12538075 ]
Castro-Chavez F: Microarrays, antiobesity and the liver. Ann Hepatol. 2004 Oct-Dec;3(4):137-45. [PubMed:15657555 ]

Showing metabocard for Stearoyl-CoA (MMDBc0030338)

MOL for #<Metabolite:0x0000560bddeebc10>

3D MOL for #<Metabolite:0x0000560bddeebc10>

3D SDF for #<Metabolite:0x0000560bddeebc10>

3D-SDF for #<Metabolite:0x0000560bddeebc10>

PDB for #<Metabolite:0x0000560bddeebc10>

3D PDB for #<Metabolite:0x0000560bddeebc10>

SMILES for #<Metabolite:0x0000560bddeebc10>

INCHI for #<Metabolite:0x0000560bddeebc10>

Structure for #<Metabolite:0x0000560bddeebc10>

3D Structure for #<Metabolite:0x0000560bddeebc10>