MiMeDB: Showing metabocard for hexadec-2-enoyl-CoA (MMDBc0032996)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:30:26 UTC

Update Date

2022-12-15 22:51:52 UTC

Metabolite ID

MMDBc0032996

Metabolite Identification

Common Name

hexadec-2-enoyl-CoA

Description

(2E)-Hexadecenoyl-CoA is an intermediate in fatty acid metabolism, the substrate of the enzyme enoyl-CoA hydratase [EC:4.2.1.17]; (2E)-Hexadecenoyl-CoA is also the substrate of the enzyme trans-2-enoyl-CoA reductase [EC:1.3.1.38], in the fatty acid elongation pathway in mitochondria. (PMID: 1278159 , KEGG).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₃₇H₆₄N₇O₁₇P₃S

Average Mass

1003.927

Monoisotopic Mass

1003.329223883

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

4460-95-1

SMILES

Not Available

InChI Identifier

InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1

InChI Key

JUPAQFRKPHPXLD-BBECNAHFSA-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

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

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

External Links

Not Available

General References

Hinsch W, Klages C, Seubert W: On the mechanism of malonyl-CoA-independent fatty-acid synthesis. Different properties of the mitochondrial chain elongation and enoylCoA reductase in various tissues. Eur J Biochem. 1976 Apr 15;64(1):45-55. doi: 10.1111/j.1432-1033.1976.tb10273.x. [PubMed:1278159 ]

Showing metabocard for hexadec-2-enoyl-CoA (MMDBc0032996)

MOL for #<Metabolite:0x00007f1240926ba8>

3D MOL for #<Metabolite:0x00007f1240926ba8>

3D SDF for #<Metabolite:0x00007f1240926ba8>

3D-SDF for #<Metabolite:0x00007f1240926ba8>

PDB for #<Metabolite:0x00007f1240926ba8>

3D PDB for #<Metabolite:0x00007f1240926ba8>

SMILES for #<Metabolite:0x00007f1240926ba8>

INCHI for #<Metabolite:0x00007f1240926ba8>

Structure for #<Metabolite:0x00007f1240926ba8>

3D Structure for #<Metabolite:0x00007f1240926ba8>