Bovine Metabolome Database: Showing metabocard for Testosterone enanthate (BMDB0005814)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:18:54 UTC

Update Date

2020-04-22 15:16:26 UTC

BMDB ID

BMDB0005814

Secondary Accession Numbers

BMDB05814

Metabolite Identification

Common Name

Testosterone enanthate

Description

Testosterone enanthate, also known as delatestryl, belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Based on a literature review a significant number of articles have been published on Testosterone enanthate.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
17-((1-Oxoheptyl)oxy)androst-4-en-3-one	ChEBI
17-Hydroxyandrost-4-en-3-one, 17-heptanoate	ChEBI
17beta-Hydroxyandrost-4-en-3-one heptanoate	ChEBI
Testosterone 17-enanthate	ChEBI
Testosterone heptanoate	ChEBI
Delatestryl	Kegg
17-Hydroxyandrost-4-en-3-one, 17-heptanoic acid	Generator
17b-Hydroxyandrost-4-en-3-one heptanoate	Generator
17b-Hydroxyandrost-4-en-3-one heptanoic acid	Generator
17beta-Hydroxyandrost-4-en-3-one heptanoic acid	Generator
17Β-hydroxyandrost-4-en-3-one heptanoate	Generator
17Β-hydroxyandrost-4-en-3-one heptanoic acid	Generator
Testosterone 17-enanthic acid	Generator
Testosterone heptanoic acid	Generator
Testosterone enanthic acid	Generator
17beta-Enanthoxyandrost-4-en-3-one	HMDB
17beta-Hydroxyandrost-4-en-3-one enanthate	HMDB
4-Androsten-17beta-ol-3-one 17-enanthate	HMDB
4-Androsten-3-one 17beta-enanthate	HMDB
Androgyn l.a.	HMDB
Andropository	HMDB
Androtardyl	HMDB
Atlatest	HMDB
DEA no. 4000	HMDB
Delatest	HMDB
DePatestrye	HMDB
depo-testro Med	HMDB
Ditate	HMDB
Durathate	HMDB
Everone	HMDB
Exten test	HMDB
Malogen l.a.	HMDB
Malogen l.a.200	HMDB
Orquisteron-e	HMDB
Primotestone	HMDB
reposo TMD	HMDB
Testanthate	HMDB
Testate	HMDB
Testenate	HMDB
Testinon	HMDB
Testoenant	HMDB
Testonenant	HMDB
Testosterone 17beta-heptanoate	HMDB
Testosterone 17beta-heptanoic acid	HMDB
Testosterone enantate	HMDB
Testosterone heptoate	HMDB
Testosterone heptoic acid	HMDB
Testosterone heptylate	HMDB
Testosterone oenanthate	HMDB
Testostroval	HMDB
BTG Brand OF testosterone enanthate	MeSH, HMDB
Jenapharm brand OF testosterone enanthate	MeSH, HMDB
Rotexmedica brand OF testosterone enanthate	MeSH, HMDB
Testosteron-depot jenapharm	MeSH, HMDB
Pasadena brand OF testosterone enanthate	MeSH, HMDB
Primoteston depot	MeSH, HMDB
Rugby brand OF testosterone enanthate	MeSH, HMDB
Testosteron depot-rotexmedica	MeSH, HMDB
Testosteron-depot eifelfango	MeSH, HMDB
Testrin p.a.	MeSH, HMDB
Roberts brand OF testosterone enanthate	MeSH, HMDB
eifelfango Brand OF testosterone enanthate	MeSH, HMDB
Schering brand OF testosterone enanthate	MeSH, HMDB
Theramed brand OF testosterone enanthate	MeSH, HMDB
Theramex	MeSH, HMDB

Chemical Formula

C₂₆H₄₀O₃

Average Molecular Weight

400.594

Monoisotopic Molecular Weight

400.297745146

IUPAC Name

(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl heptanoate

Traditional Name

everone

CAS Registry Number

315-37-7

SMILES

[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

InChI Identifier

InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1

InChI Key

VOCBWIIFXDYGNZ-IXKNJLPQSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid esters

Direct Parent

Steroid esters

Alternative Parents

Substituents

Steroid ester
Androgen-skeleton
Androstane-skeleton
3-oxosteroid
3-oxo-delta-4-steroid
Oxosteroid
Delta-4-steroid
Cyclohexenone
Ketone
Carboxylic acid ester
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organooxygen compound
Carbonyl group
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

sterol ester (CHEBI:9464 )
enanthate ester (CHEBI:9464 )
C19 steroids (androgens) and derivatives (C08157 )
C19 steroids (androgens) and derivatives (LMST02020075 )

Ontology

Status

Expected but not Quantified

Origin

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cell membrane
Cytoplasm
Membrane

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	36 - 37.5 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	5.11	ALOGPS
logP	6.29	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	19.09	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	43.37 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	116.61 m³·mol⁻¹	ChemAxon
Polarizability	49.2 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00dr-3479000000-622103246e9253c3578f	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-2594800000-2fe5b98ade2c6812e290	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-022i-5592000000-689f1cdb34f31cd98d15	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-05mo-4490000000-d66a654ef39db2b12265	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0149000000-2bec5293e6f91f7dbff5	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0393000000-1dfe91f6ac9835af8928	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4r-2190000000-387672165ae5773ca45b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0109000000-867f88cb280a910aabe9	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01r2-1926000000-bc6e667c95b200d2ea91	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4l-9101000000-86eb2f6d2ad8f02878cd	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0040900000-fe6a5cf79e52e56acc46	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0229-1981100000-256658d507dc1dea4517	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-06r6-5920000000-9787c0613d8215ab200b	View in MoNA