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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-08-08 10:19:11 UTC
Update Date2022-03-07 02:49:33 UTC
HMDB IDHMDB0006772
Secondary Accession Numbers
  • HMDB06772
Metabolite Identification
Common NameAdrenosterone
DescriptionAdrenosterone is a steroid hormone with weak androgenic effect. It was first isolated in 1936 from the adrenal cortex by Tadeus Reichstein at the Pharmaceutical Institute in the University of Basel. Originally, adrenosterone was called Reichstein's substance G.(Wikipedia ). Andrenosterone is created from androst-4-ene-3,17-dione by the work of two enzymes, CYP11B (E1.14.15.4) and 11beta-hydroxysteroid dehydrogenase [EC:1.1.1.146].
Structure
Data?1582752405
Synonyms
ValueSource
11-Keto-androstenedioneChEBI
11-KetoandrostenedioneChEBI
11-oxoChEBI
11-Oxoandrost-4-ene-3,17-dioneChEBI
11-OxoandrostenedioneChEBI
11-Oxy-4-androstenedioneChEBI
4-Androsten-3,11,17-trioneChEBI
AndrenosteroneChEBI
Androst-4-ene-3,11,17-trioneChEBI
NSC 12166ChEBI
Reichstein's substance gChEBI
4-Androstene-3,11,17-trioneHMDB
Adrenosterone, 3H-labeledHMDB
Chemical FormulaC19H24O3
Average Molecular Weight300.3921
Monoisotopic Molecular Weight300.172544634
IUPAC Name(1S,2R,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14,17-trione
Traditional Nameadrenosterone
CAS Registry Number382-45-6
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Identifier
InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
InChI KeyRZRPTBIGEANTGU-IRIMSJTPSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassAndrostane steroids
Direct ParentAndrogens and derivatives
Alternative Parents
Substituents
  • Androgen-skeleton
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • Oxosteroid
  • 17-oxosteroid
  • 11-oxosteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Cyclic ketone
  • Ketone
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.055 g/LALOGPS
logP2.42ALOGPS
logP3.01ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)17.99ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area51.21 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity84.27 m³·mol⁻¹ChemAxon
Polarizability33.28 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+171.8931661259
DarkChem[M-H]-168.19931661259
DeepCCS[M-2H]-205.28430932474
DeepCCS[M+Na]+180.53430932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Adrenosterone[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3445.7Standard polar33892256
Adrenosterone[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C2715.1Standard non polar33892256
Adrenosterone[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C2892.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Adrenosterone,1TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(=O)CC[C@@H]122801.3Semi standard non polar33892256
Adrenosterone,1TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(=O)CC[C@@H]122649.2Standard non polar33892256
Adrenosterone,1TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(=O)CC[C@@H]123153.4Standard polar33892256
Adrenosterone,1TMS,isomer #2C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2889.6Semi standard non polar33892256
Adrenosterone,1TMS,isomer #2C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2525.2Standard non polar33892256
Adrenosterone,1TMS,isomer #2C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C3041.0Standard polar33892256
Adrenosterone,1TMS,isomer #3C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O2785.5Semi standard non polar33892256
Adrenosterone,1TMS,isomer #3C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O2583.0Standard non polar33892256
Adrenosterone,1TMS,isomer #3C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O3183.5Standard polar33892256
Adrenosterone,1TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O2819.3Semi standard non polar33892256
Adrenosterone,1TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O2641.3Standard non polar33892256
Adrenosterone,1TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O3130.9Standard polar33892256
Adrenosterone,2TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(=O)CC[C@@H]122694.9Semi standard non polar33892256
Adrenosterone,2TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(=O)CC[C@@H]122730.4Standard non polar33892256
Adrenosterone,2TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(=O)CC[C@@H]123181.9Standard polar33892256
Adrenosterone,2TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122749.2Semi standard non polar33892256
Adrenosterone,2TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122649.5Standard non polar33892256
Adrenosterone,2TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]123104.5Standard polar33892256
Adrenosterone,2TMS,isomer #3C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2725.4Semi standard non polar33892256
Adrenosterone,2TMS,isomer #3C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2586.4Standard non polar33892256
Adrenosterone,2TMS,isomer #3C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C3174.8Standard polar33892256
Adrenosterone,2TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2809.8Semi standard non polar33892256
Adrenosterone,2TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2666.2Standard non polar33892256
Adrenosterone,2TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C3087.5Standard polar33892256
Adrenosterone,2TMS,isomer #5C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O2680.4Semi standard non polar33892256
Adrenosterone,2TMS,isomer #5C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O2634.6Standard non polar33892256
Adrenosterone,2TMS,isomer #5C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O3225.1Standard polar33892256
Adrenosterone,3TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122640.8Semi standard non polar33892256
Adrenosterone,3TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122820.6Standard non polar33892256
Adrenosterone,3TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]123103.5Standard polar33892256
Adrenosterone,3TMS,isomer #2C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2630.0Semi standard non polar33892256
Adrenosterone,3TMS,isomer #2C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C2662.8Standard non polar33892256
Adrenosterone,3TMS,isomer #2C[C@]12C=C(O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C3177.9Standard polar33892256
Adrenosterone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CCC(=O)[C@@]2(C)C13029.4Semi standard non polar33892256
Adrenosterone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CCC(=O)[C@@]2(C)C12911.4Standard non polar33892256
Adrenosterone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CCC(=O)[C@@]2(C)C13312.9Standard polar33892256
Adrenosterone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C3120.2Semi standard non polar33892256
Adrenosterone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C2699.3Standard non polar33892256
Adrenosterone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C3198.0Standard polar33892256
Adrenosterone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]122997.3Semi standard non polar33892256
Adrenosterone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]122790.3Standard non polar33892256
Adrenosterone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123337.2Standard polar33892256
Adrenosterone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC(=O)[C@@H]123054.1Semi standard non polar33892256
Adrenosterone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC(=O)[C@@H]122874.4Standard non polar33892256
Adrenosterone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC(=O)[C@@H]123286.3Standard polar33892256
Adrenosterone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C)C(=O)CC[C@@H]123178.9Semi standard non polar33892256
Adrenosterone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C)C(=O)CC[C@@H]123184.4Standard non polar33892256
Adrenosterone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C)C(=O)CC[C@@H]123416.3Standard polar33892256
Adrenosterone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C3203.8Semi standard non polar33892256
Adrenosterone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C2971.3Standard non polar33892256
Adrenosterone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C3340.0Standard polar33892256
Adrenosterone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]123295.8Semi standard non polar33892256
Adrenosterone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]122995.2Standard non polar33892256
Adrenosterone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]123331.5Standard polar33892256
Adrenosterone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123183.2Semi standard non polar33892256
Adrenosterone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]122906.1Standard non polar33892256
Adrenosterone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123403.9Standard polar33892256
Adrenosterone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]123124.1Semi standard non polar33892256
Adrenosterone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]123039.1Standard non polar33892256
Adrenosterone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]123450.3Standard polar33892256
Adrenosterone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]123328.8Semi standard non polar33892256
Adrenosterone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]123199.5Standard non polar33892256
Adrenosterone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]123408.3Standard polar33892256
Adrenosterone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]123295.5Semi standard non polar33892256
Adrenosterone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]123116.7Standard non polar33892256
Adrenosterone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]123476.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Adrenosterone GC-MS (Non-derivatized)splash10-004l-3910000000-dda2aae9c4577545506c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Adrenosterone GC-MS (Non-derivatized)splash10-004l-3910000000-dda2aae9c4577545506c2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adrenosterone GC-MS (Non-derivatized) - 70eV, Positivesplash10-05fr-1590000000-60fcf2c287c8dac542ee2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adrenosterone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone LC-ESI-qTof , Positive-QTOFsplash10-0ab9-2940000000-06e07dc51a896789d9332017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , negative-QTOFsplash10-001i-0290000000-a6dda3c4c0b1e8e4c4772017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , negative-QTOFsplash10-001i-0090000000-572505448243920d7c462017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , negative-QTOFsplash10-001i-0190000000-6a4af6e2a1477f91dfbb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , negative-QTOFsplash10-001i-0190000000-57c8256a5ea31b9519f82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , negative-QTOFsplash10-004i-1091000000-6b6dae7a99821b5299382017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , negative-QTOFsplash10-004i-1092000000-9361c41ea86f032c634b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , positive-QTOFsplash10-0159-0290000000-6d600d8c52e480412d372017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone Linear Ion Trap , positive-QTOFsplash10-0159-0290000000-af6aba5ffbd5525ba43a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone , positive-QTOFsplash10-0ab9-2940000000-06e07dc51a896789d9332017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone 40V, Positive-QTOFsplash10-0596-3910000000-521e74db879ee9f81a3b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone 20V, Positive-QTOFsplash10-0pi0-0973000000-767c7b546b71c185a6242021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone 35V, Positive-QTOFsplash10-0udi-0469000000-25e6987364697bc536e22021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Adrenosterone 10V, Positive-QTOFsplash10-0udi-0019000000-059fceb486c74e5432892021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 10V, Positive-QTOFsplash10-0udi-0069000000-51d9ddcfd1d7b8a3e20c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 20V, Positive-QTOFsplash10-0l7i-0291000000-7b42bb8a716d4c0700e62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 40V, Positive-QTOFsplash10-0k9j-2490000000-c88e67e966734b1d65ea2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 10V, Negative-QTOFsplash10-0002-0090000000-34ecec5ab91ebc5e78dd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 20V, Negative-QTOFsplash10-0002-0090000000-4c027780977d32f6a16e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 40V, Negative-QTOFsplash10-05nf-2090000000-cdcd813d0ed227d587c12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 10V, Negative-QTOFsplash10-0002-0090000000-dd82c6133109d0e6e28e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 20V, Negative-QTOFsplash10-0002-0090000000-ff5973ba5b3491dd86a72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 40V, Negative-QTOFsplash10-014m-4190000000-b9abb2323ddbbd68f5ca2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 10V, Positive-QTOFsplash10-0udi-0029000000-2789ee380fa1a8c917272021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adrenosterone 20V, Positive-QTOFsplash10-0a4i-0191000000-4cdffaa52886ce7801212021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB024074
KNApSAcK IDNot Available
Chemspider ID194597
KEGG Compound IDC05285
BioCyc IDCPD-18926
BiGG IDNot Available
Wikipedia LinkAdrenosterone
METLIN IDNot Available
PubChem Compound223997
PDB IDNot Available
ChEBI ID2495
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the conversion of cortisol to the inactive metabolite cortisone. Modulates intracellular glucocorticoid levels, thus protecting the nonselective mineralocorticoid receptor from occupation by glucocorticoids.
Gene Name:
HSD11B2
Uniprot ID:
P80365
Molecular weight:
44126.06
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7-ketocholesterol to 7-beta-hydroxycholesterol (By similarity).
Gene Name:
HSD11B1
Uniprot ID:
P28845
Molecular weight:
32400.665
Reactions
11b-Hydroxyandrost-4-ene-3,17-dione + NADP → Adrenosterone + NADPH + Hydrogen Iondetails