MiMeDB: Showing metabocard for cis-3-hexen-1-ol (MMDBc0033455)

Plant

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:49:21 UTC

Update Date

2022-08-31 22:36:13 UTC

Metabolite ID

MMDBc0033455

Metabolite Identification

Common Name

cis-3-hexen-1-ol

Description

3-Hexen-1-ol, also known as 1-hydroxy-3-hexene, is a colourless oily liquid with an intense grassy-green odour of freshly cut green grass and leaves. It is produced in small amounts by most plants and it acts as an attractant to many predatory insects. 3-Hexen-1-ol is a very important aroma compound that is used in fruit and vegetable flavours and in perfumes. The yearly production is about 30 tonnes. 3-Hexen-1-ol is found in black elderberry.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(3Z)-3-Hexen-1-ol	ChEBI
(3Z)-Hex-3-en-1-ol	ChEBI
(Z)-3-Hexen-1-ol	ChEBI
Blatteralkohol	ChEBI
cis-3-Hexen-1-ol	ChEBI
Leaf alcohol	ChEBI
(Z)-3-Hexeno1	MeSH
3-Hexen-1-ol, (Z)-isomer	MeSH
cis-3-Hexenol	MeSH
3-Hexen-1-ol	MeSH, KEGG
(3Z)-Hexenol	HMDB
(Z)-3-Hexenol	HMDB
(Z)-Hex-3-en-1-ol	HMDB
1-Hydroxy-3-hexene	HMDB
3Z-Hexen-1-ol	HMDB
beta-gamma-Hexenol	HMDB
cis-1-Hydroxy-3-hexene	HMDB
cis-3-Hexene-1-ol	HMDB
cis-3-Hexenyl alcohol	HMDB
β-γ-Hexenol	HMDB
Folic alcohol	PhytoBank
Green leaf alcohol	PhytoBank
cis-Hex-3-en-1-ol	PhytoBank

Molecular Formula

C₆H₁₂O

Average Mass

100.1589

Monoisotopic Mass

100.088815006

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

928-96-1

SMILES

Not Available

InChI Identifier

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

InChI Key

UFLHIIWVXFIJGU-ARJAWSKDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

primary alcohol (CHEBI:28857 )
Fatty alcohols (LMFA05000059 )

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

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

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

External Links

HMDB ID

HMDB0030003

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Cis-3-Hexen-1-ol

METLIN ID

Not Available

PubChem Compound

5281167

PDB ID

Not Available

ChEBI ID

28857

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

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 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for cis-3-hexen-1-ol (MMDBc0033455)

MOL for #<Metabolite:0x00007f1214035b88>

3D MOL for #<Metabolite:0x00007f1214035b88>

3D SDF for #<Metabolite:0x00007f1214035b88>

3D-SDF for #<Metabolite:0x00007f1214035b88>

PDB for #<Metabolite:0x00007f1214035b88>

3D PDB for #<Metabolite:0x00007f1214035b88>

SMILES for #<Metabolite:0x00007f1214035b88>

INCHI for #<Metabolite:0x00007f1214035b88>

Structure for #<Metabolite:0x00007f1214035b88>

3D Structure for #<Metabolite:0x00007f1214035b88>