MiMeDB: Showing metabocard for (+)-5(6),13-halimadiene-15-ol (MMDBc0003116)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-14 21:15:11 UTC

Update Date

2022-08-31 06:20:29 UTC

MiMeDB ID

MMDBc0003116

Metabolite Identification

Common Name

(+)-5(6),13-halimadiene-15-ol

Description

tuberculosinol 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. Thus, tuberculosinol is considered to be an isoprenoid. Based on a literature review a significant number of articles have been published on tuberculosinol.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Halima-5,6-dien-15-ol	ChEBI

Chemical Formula

C₂₀H₃₄O

Average Molecular Weight

290.491

Monoisotopic Molecular Weight

290.260965715

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C20H34O/c1-15(11-14-21)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18,21H,6-8,10,12-14H2,1-5H3/b15-11+/t16-,18+,20+/m0/s1

InChI Key

VHFDWNJLUATPID-AHKHSGQUSA-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 homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

diterpenoid (CHEBI:50387 )
Labdane and halimane diterpenoids (LMPR0104030005 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Actinobacteria	4	Human	; Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

21865738

KEGG Compound ID

C19963

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

24883452

PDB ID

Not Available

ChEBI ID

50387

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for (+)-5(6),13-halimadiene-15-ol (MMDBc0003116)

MOL for #<Metabolite:0x000055b76bcb81d0>

3D MOL for #<Metabolite:0x000055b76bcb81d0>

3D SDF for #<Metabolite:0x000055b76bcb81d0>

3D-SDF for #<Metabolite:0x000055b76bcb81d0>

PDB for #<Metabolite:0x000055b76bcb81d0>

3D PDB for #<Metabolite:0x000055b76bcb81d0>

SMILES for #<Metabolite:0x000055b76bcb81d0>

INCHI for #<Metabolite:0x000055b76bcb81d0>

Structure for #<Metabolite:0x000055b76bcb81d0>

3D Structure for #<Metabolite:0x000055b76bcb81d0>