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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2007-04-12 20:41:10 UTC
Update Date2022-03-07 02:49:29 UTC
HMDB IDHMDB0006031
Secondary Accession Numbers
  • HMDB06031
Metabolite Identification
Common Name11-Ketoetiocholanolone
Description11-Ketoetiocholanolone is an endogenous anabolic androgenic steroid. The concentration ratio of 11-hydroxyetiocholanolone/11-hydroxyandrosterone is increased in patients with uterine leiomyomas, and it appears to be caused by a decrease in patients' metabolite of steroids. The concentration of 11-Ketoetiocholanolone is significantly higher in these patients. There is a relationship between urinary endogenous steroid metabolites and lower urinary tract function related to the residual volume in uroflowmetry in postmenopausal women. (PMID: 15808004 , 14698830 , 12728469 ).
Structure
Data?1582752371
Synonyms
ValueSource
3alpha-Hydroxy-5beta-androstane-11,17-dioneKegg
3a-Hydroxy-5b-androstane-11,17-dioneGenerator
3Α-hydroxy-5β-androstane-11,17-dioneGenerator
(3alpha,5beta)-3-Hydroxy-androstane-11,17-dioneHMDB
11-OxoaetiocholanoloneHMDB
11-OxoetiocholanoloneHMDB, MeSH
3-Hydroxyandrostane-11,17-dioneHMDB
3alpha-Hydroxy-11,17-dioxo-5beta-androstaneHMDB
5beta-Androstan-3alpha-ol-11,17-dioneHMDB
11-O-ETIOMeSH, HMDB
Chemical FormulaC19H28O3
Average Molecular Weight304.4238
Monoisotopic Molecular Weight304.203844762
IUPAC Name(1S,2S,5R,7R,10S,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-14,17-dione
Traditional Name11-oxoetiocholanolone
CAS Registry Number739-27-5
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
InChI Identifier
InChI=1S/C19H28O3/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/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1
InChI KeyIUNYGQONJQTULL-UKZLPJRTSA-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-hydroxysteroid
  • 3-alpha-hydroxysteroid
  • Oxosteroid
  • 17-oxosteroid
  • 11-oxosteroid
  • Hydroxysteroid
  • Cyclic alcohol
  • Secondary alcohol
  • Ketone
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Role
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 Solubility0.057 g/LALOGPS
logP2.7ALOGPS
logP2.84ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)18.09ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area54.37 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity84.48 m³·mol⁻¹ChemAxon
Polarizability34.44 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]+168.69731661259
DarkChem[M-H]-166.08331661259
DeepCCS[M-2H]-209.030932474
DeepCCS[M+Na]+183.60130932474
AllCCS[M+H]+176.832859911
AllCCS[M+H-H2O]+173.832859911
AllCCS[M+NH4]+179.632859911
AllCCS[M+Na]+180.432859911
AllCCS[M-H]-180.732859911
AllCCS[M+Na-2H]-180.832859911
AllCCS[M+HCOO]-181.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
11-Ketoetiocholanolone[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C2613.9Standard polar33892256
11-Ketoetiocholanolone[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C2642.8Standard non polar33892256
11-Ketoetiocholanolone[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C2877.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
11-Ketoetiocholanolone,1TMS,isomer #1C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=O2789.6Semi standard non polar33892256
11-Ketoetiocholanolone,1TMS,isomer #2C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O2691.7Semi standard non polar33892256
11-Ketoetiocholanolone,1TMS,isomer #3C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C2781.3Semi standard non polar33892256
11-Ketoetiocholanolone,1TMS,isomer #4C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(=O)CC[C@@H]122670.9Semi standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #1C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=O2661.7Semi standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #1C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=O2675.5Standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #1C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CCC2=O3155.5Standard polar33892256
11-Ketoetiocholanolone,2TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(=O)CC[C@@H]122624.4Semi standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(=O)CC[C@@H]122627.5Standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(=O)CC[C@@H]123219.2Standard polar33892256
11-Ketoetiocholanolone,2TMS,isomer #3C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C2739.0Semi standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #3C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C2633.1Standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #3C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C3051.0Standard polar33892256
11-Ketoetiocholanolone,2TMS,isomer #4C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C2625.4Semi standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #4C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C2673.3Standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #4C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C3081.1Standard polar33892256
11-Ketoetiocholanolone,2TMS,isomer #5C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122605.1Semi standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #5C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122563.7Standard non polar33892256
11-Ketoetiocholanolone,2TMS,isomer #5C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]123188.8Standard polar33892256
11-Ketoetiocholanolone,3TMS,isomer #1C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C2593.7Semi standard non polar33892256
11-Ketoetiocholanolone,3TMS,isomer #1C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C2751.0Standard non polar33892256
11-Ketoetiocholanolone,3TMS,isomer #1C[C@]12CC(O[Si](C)(C)C)=C3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C3045.7Standard polar33892256
11-Ketoetiocholanolone,3TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122574.0Semi standard non polar33892256
11-Ketoetiocholanolone,3TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]122656.2Standard non polar33892256
11-Ketoetiocholanolone,3TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]123145.2Standard polar33892256
11-Ketoetiocholanolone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C13017.8Semi standard non polar33892256
11-Ketoetiocholanolone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CCC(=O)[C@@]2(C)C12924.1Semi standard non polar33892256
11-Ketoetiocholanolone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C3040.1Semi standard non polar33892256
11-Ketoetiocholanolone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@@H]3C[C@H](O)CC[C@]3(C)[C@@H]122889.9Semi standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]23C)[C@@H]2CCC(=O)[C@@]2(C)C13148.9Semi standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]23C)[C@@H]2CCC(=O)[C@@]2(C)C13211.7Standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]23C)[C@@H]2CCC(=O)[C@@]2(C)C13376.4Standard polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@@H]123064.0Semi standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@@H]122999.0Standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@@H]123419.4Standard polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C3235.9Semi standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C2904.2Standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C3284.7Standard polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C3072.1Semi standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C2921.3Standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C3318.9Standard polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #5CC(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]2CC[C@@H]3C[C@H](O)CC[C@]3(C)[C@@H]123067.7Semi standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #5CC(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]2CC[C@@H]3C[C@H](O)CC[C@]3(C)[C@@H]122843.2Standard non polar33892256
11-Ketoetiocholanolone,2TBDMS,isomer #5CC(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]2CC[C@@H]3C[C@H](O)CC[C@]3(C)[C@@H]123408.5Standard polar33892256
11-Ketoetiocholanolone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C3295.3Semi standard non polar33892256
11-Ketoetiocholanolone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C3129.2Standard non polar33892256
11-Ketoetiocholanolone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12C3351.3Standard polar33892256
11-Ketoetiocholanolone,3TBDMS,isomer #2CC(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]2CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@@H]123249.0Semi standard non polar33892256
11-Ketoetiocholanolone,3TBDMS,isomer #2CC(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]2CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@@H]123048.2Standard non polar33892256
11-Ketoetiocholanolone,3TBDMS,isomer #2CC(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]2CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@@H]123425.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - 11-Ketoetiocholanolone EI-B (Non-derivatized)splash10-0zfr-1922000000-53a646d987218b34c9412017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 11-Ketoetiocholanolone EI-B (Non-derivatized)splash10-0ffc-1940000000-c56c62d1b425b535ab142017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 11-Ketoetiocholanolone EI-B (Non-derivatized)splash10-0zfr-1922000000-53a646d987218b34c9412018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 11-Ketoetiocholanolone EI-B (Non-derivatized)splash10-0ffc-1940000000-c56c62d1b425b535ab142018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-Ketoetiocholanolone GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ta-0390000000-f899506dd631386381fd2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-Ketoetiocholanolone GC-MS (1 TMS) - 70eV, Positivesplash10-03l1-1359000000-c44ead28a84ab75143ba2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-Ketoetiocholanolone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-Ketoetiocholanolone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 10V, Negative-QTOFsplash10-0udi-0029000000-6d9c39501754e6495c032016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 20V, Negative-QTOFsplash10-0udi-0069000000-e15b7ac311ca7d73dac52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 40V, Negative-QTOFsplash10-05g3-2190000000-fd2a395c97f30477076c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 10V, Negative-QTOFsplash10-0udi-0009000000-93986d59045cc7fce5512021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 20V, Negative-QTOFsplash10-0udi-0029000000-048ab11b637fc14885e82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 40V, Negative-QTOFsplash10-0wmm-4193000000-34031e37293525e810982021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 10V, Positive-QTOFsplash10-052r-0094000000-45446caf2b170add176c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 20V, Positive-QTOFsplash10-0ap0-0191000000-6d4e843374d8d34e755a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 40V, Positive-QTOFsplash10-0a4v-4390000000-f0f132ec0460e02718952016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 10V, Positive-QTOFsplash10-0a4r-0097000000-a5548652b47d12cf610e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 20V, Positive-QTOFsplash10-0bti-1491000000-b8de030ab96a9e9ab0962021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-Ketoetiocholanolone 40V, Positive-QTOFsplash10-014j-2910000000-eac837cca1cc49f3236d2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
UrineDetected and Quantified0.000038 +/- 0.000018 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified0.00006 +/- 0.000088 umol/mmol creatinineAdult (>18 years old)FemaleStress urinary incontinence details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023809
KNApSAcK IDNot Available
Chemspider ID92021
KEGG Compound IDC14552
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101850
PDB IDNot Available
ChEBI ID34135
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 References
  1. Jung BH, Bai SW, Chung BC: Endogenous urinary steroids in premenopausal women with uterine leiomyomas. Int J Gynaecol Obstet. 2004 Jan;84(1):55-60. [PubMed:14698830 ]
  2. Cawley AT, Kazlauskas R, Trout GJ, Rogerson JH, George AV: Isotopic fractionation of endogenous anabolic androgenic steroids and its relationship to doping control in sports. J Chromatogr Sci. 2005 Jan;43(1):32-8. [PubMed:15808004 ]
  3. Bai SW, Jung BH, Chung BC, Kim SK, Park KH: Relationship between urinary endogenous steroid metabolites and lower urinary tract function in postmenopausal women. Yonsei Med J. 2003 Apr 30;44(2):279-87. [PubMed:12728469 ]