Bovine Metabolome Database: Showing metabocard for 11,14,15-THETA (BMDB0004694)

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Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:10:21 UTC

Update Date

2020-04-22 15:14:04 UTC

BMDB ID

BMDB0004694

Secondary Accession Numbers

BMDB04694

Metabolite Identification

Common Name

11,14,15-THETA

Description

11,14,15-THETA, also known as 11,14,15-thet, belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three CC double bonds. Thus, 11,14,15-theta is considered to be an eicosanoid lipid molecule. 11,14,15-THETA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid	ChEBI
(5Z,8Z,12E)-11,14,15-Trihydroxyeicosatrienoic acid	ChEBI
(5Z,8Z,12E)-11,14,15-Trihydroxyicosatrienoic acid	ChEBI
11,14,15-Trihydroxy-(5Z,8Z,12E)-eicosatrienoic acid	ChEBI
11,14,15-Trihydroxy-5Z,8Z,12E-eicosatrienoic acid	ChEBI
11,14,15-Trihydroxyicosatrienoic acid	ChEBI
(5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoic acid	Kegg
(5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoate	Generator
(5Z,8Z,12E)-11,14,15-Trihydroxyeicosatrienoate	Generator
(5Z,8Z,12E)-11,14,15-Trihydroxyicosatrienoate	Generator
11,14,15-Trihydroxy-(5Z,8Z,12E)-eicosatrienoate	Generator
11,14,15-Trihydroxy-5Z,8Z,12E-eicosatrienoate	Generator
11,14,15-Trihydroxyicosatrienoate	Generator
(5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoate	Generator
11,14,15-THET	HMDB
11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid	HMDB
11,14,15-Trihydroxyeicosatetraenoic acid	HMDB

Chemical Formula

C₂₀H₃₄O₅

Average Molecular Weight

354.481

Monoisotopic Molecular Weight

354.240624198

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+

InChI Key

YCFPVUKKIWMCJK-LTCHCNGXSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three CC double bonds.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Hydroxyeicosatrienoic acids

Alternative Parents

Substituents

Hydroxyeicosatrienoic acid
Long-chain fatty acid
Hydroxy fatty acid
Fatty acid
Unsaturated fatty acid
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Polyol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

leukotriene (CHEBI:34131 )
Hydroxy/hydroperoxyeicosatrienoic acids (C14814 )
Hydroxy/hydroperoxyeicosatrienoic acids (LMFA03050018 )

Ontology

Status

Expected but not Quantified

Origin

Endogenous

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cell membrane
Cytoplasm
Membrane

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available