Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2021-09-14 15:40:02 UTC
HMDB IDHMDB0014825
Secondary Accession Numbers
  • HMDB14825
Metabolite Identification
Common NameFludrocortisone
DescriptionFludrocortisone is only found in individuals that have used or taken this drug. It is a synthetic mineralocorticoid with anti-inflammatory activity. [PubChem]Fludrocortisone binds the mineralocorticoid receptor (aldosterone receptor). This binding (or activation of the mineralocorticoid receptor by fludrocortisone) in turn causes an increase in ion and water transport and thus raises extracellular fluid volume and blood pressure and lowers potassium levels.
Structure
Data?1582753224
Synonyms
ValueSource
9ALPHA-FLUOROCORTISOLChEBI
FludrocortisonaChEBI
FludrocortisonumChEBI
Astonin-HKegg
9a-FLUOROCORTISOLGenerator
9Α-fluorocortisolGenerator
9 Fluoro 17 hydroxycortisoneHMDB
9 FluorohydrocortisoneHMDB
9 alpha FluorohydrocortisoneHMDB
9 alpha-FluorohydrocortisoneHMDB
9-FluorocortisolHMDB
9-FluorohydrocortisoneHMDB
Astonin HHMDB
Merck brand OF fludrocortisoneHMDB
9 FluorocortisolHMDB
9 alpha FludrohydrocortisoneHMDB
9 alpha Fluoro 17 hydroxycorticosteroneHMDB
9 alpha-Fluoro-17-hydroxycorticosteroneHMDB
Astonin merckHMDB
9-Fluoro-17-hydroxycortisoneHMDB
AstoninHMDB
FCOLHMDB
Merck, astoninHMDB
Chemical FormulaC21H29FO5
Average Molecular Weight380.4504
Monoisotopic Molecular Weight380.199902243
IUPAC Name(1R,2S,10S,11S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
Traditional Namefludrocortisone
CAS Registry Number127-31-1
SMILES
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Identifier
InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChI KeyAAXVEMMRQDVLJB-BULBTXNYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassHydroxysteroids
Direct Parent21-hydroxysteroids
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 21-hydroxysteroid
  • Pregnane-skeleton
  • 20-oxosteroid
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • 17-hydroxysteroid
  • 11-hydroxysteroid
  • 11-beta-hydroxysteroid
  • 9-halo-steroid
  • Halo-steroid
  • Oxosteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Alpha-hydroxy ketone
  • Cyclic alcohol
  • Tertiary alcohol
  • Ketone
  • Fluorohydrin
  • Halohydrin
  • Secondary alcohol
  • Cyclic ketone
  • Organooxygen compound
  • Alcohol
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Alkyl halide
  • Alkyl fluoride
  • Organohalogen compound
  • Organofluoride
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.22 g/LNot Available
LogP0.3Not Available
Experimental Spectral Properties

Experimental Collision Cross Sections

PredictorAdduct TypeData SourceCCS Value (Å2)Reference
AllCCS[M+H]+Not Available189.711http://allccs.zhulab.cn/database/detail?ID=AllCCS00001184
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.22 g/LALOGPS
logP10(1.35) g/LALOGPS
logP10(1.32) g/LChemAxon
logS10(-3.2) g/LALOGPS
pKa (Strongest Acidic)12.55ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity96.93 m³·mol⁻¹ChemAxon
Polarizability39.6 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Fludrocortisone,1TMS,#1C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3362.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TMS,#2C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3352.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TMS,#3C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO3309.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TMS,#4C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3280.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TMS,#5C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO3284.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3284.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#2C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3369.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#3C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3268.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#4C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3262.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#5C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3277.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#6C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3268.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#7C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3267.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#8C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO3210.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#9C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3217.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TMS,#10C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3178.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3292.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#2C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3192.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#3C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3193.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#4C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3265.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#5C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3248.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#6C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3160.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#7C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3168.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#8C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3186.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#9C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3145.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TMS,#10C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3093.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TBDMS,#1CC(C)(C)[Si](C)(C)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3598.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TBDMS,#2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3615.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TBDMS,#3CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@]12F3543.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TBDMS,#4CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3528.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,1TBDMS,#5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F3532.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3851.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#2CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@]12F3731.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#3CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3739.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#4CC(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(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F3734.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#5CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3748.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3739.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#7CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3715.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#8CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3673.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12F3645.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,2TBDMS,#10CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O)[C@@]12F3632.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3961.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3932.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#3CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3899.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#4CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3880.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#5CC(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(=O)CO)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12F3835.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#6CC(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(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O)[C@@]12F3827.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3838.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#8CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3792.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3796.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Fludrocortisone,3TBDMS,#10CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12F3763.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Fludrocortisone GC-MS (Non-derivatized) - 70eV, Positivesplash10-0c11-2923000000-2aa4b6ff5d62976e9db52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fludrocortisone GC-MS (3 TMS) - 70eV, Positivesplash10-001i-1931370000-6ab908399e845fb3f5db2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fludrocortisone 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 - Fludrocortisone 10V, Positive-QTOFsplash10-01q9-0009000000-358ba8da7efea797ef9c2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 20V, Positive-QTOFsplash10-0il1-0039000000-828e7d24d805a3db14b42016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 40V, Positive-QTOFsplash10-00di-1393000000-bcf8ad7731a3649763842016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 10V, Negative-QTOFsplash10-004i-0009000000-6ea1f80529bc7fafe1102016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 20V, Negative-QTOFsplash10-0ofr-1009000000-b3794673f6ad15f0368d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 40V, Negative-QTOFsplash10-0a4i-8049000000-0e628f8cf74913944ed02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 10V, Positive-QTOFsplash10-001i-0009000000-f7a23160ed818a38a6a12021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 20V, Positive-QTOFsplash10-01q9-0449000000-eb583cc92284e7d492872021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 40V, Positive-QTOFsplash10-0059-3290000000-bf91e132fe726e3ff41e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 10V, Negative-QTOFsplash10-0092-0009000000-93aee2b3ad776fb938772021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 20V, Negative-QTOFsplash10-006t-0009000000-081e2b1db98e25b6f1182021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fludrocortisone 40V, Negative-QTOFsplash10-0g4i-0009000000-90e46236335a9d6a29ca2021-10-11Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00687 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00687 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00687
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID29111
KEGG Compound IDC07004
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFludrocortisone
METLIN IDNot Available
PubChem Compound31378
PDB IDZK5
ChEBI ID50885
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Enzymes

General function:
Involved in DNA binding
Specific function:
Steroid hormone receptors are ligand-activated transcription factors that regulate eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Transcription factor activity is modulated by bound coactivator and corepressor proteins. Transcription activation is down-regulated by NR0B2. Activated, but not phosphorylated, by HIPK3
Gene Name:
AR
Uniprot ID:
P10275
Molecular weight:
98987.9
References
  1. Krishnan AV, Zhao XY, Swami S, Brive L, Peehl DM, Ely KR, Feldman D: A glucocorticoid-responsive mutant androgen receptor exhibits unique ligand specificity: therapeutic implications for androgen-independent prostate cancer. Endocrinology. 2002 May;143(5):1889-900. [PubMed:11956172 ]
  2. Matias PM, Carrondo MA, Coelho R, Thomaz M, Zhao XY, Wegg A, Crusius K, Egner U, Donner P: Structural basis for the glucocorticoid response in a mutant human androgen receptor (AR(ccr)) derived from an androgen-independent prostate cancer. J Med Chem. 2002 Mar 28;45(7):1439-46. [PubMed:11906285 ]
General function:
Involved in sequence-specific DNA binding transcription factor activity
Specific function:
Receptor for both mineralocorticoids (MC) such as aldosterone and glucocorticoids (GC) such as corticosterone or cortisol. Binds to mineralocorticoid response elements (MRE) and transactivates target genes. The effect of MC is to increase ion and water transport and thus raise extracellular fluid volume and blood pressure and lower potassium levels
Gene Name:
NR3C2
Uniprot ID:
P08235
Molecular weight:
107066.6
References
  1. Otte C, Jahn H, Yassouridis A, Arlt J, Stober N, Maass P, Wiedemann K, Kellner M: The mineralocorticoid receptor agonist, fludrocortisone, inhibits pituitary-adrenal activity in humans after pre-treatment with metyrapone. Life Sci. 2003 Aug 22;73(14):1835-45. [PubMed:12888122 ]
  2. Oelkers W, Buchen S, Diederich S, Krain J, Muhme S, Schoneshofer M: Impaired renal 11 beta-oxidation of 9 alpha-fluorocortisol: an explanation for its mineralocorticoid potency. J Clin Endocrinol Metab. 1994 Apr;78(4):928-32. [PubMed:8157723 ]
  3. Young MJ, Funder JW: Mineralocorticoids, salt, hypertension: effects on the heart. Steroids. 1996 Apr;61(4):233-5. [PubMed:8733007 ]
  4. Kingsley-Kallesen M, Mukhopadhyay SS, Wyszomierski SL, Schanler S, Schutz G, Rosen JM: The mineralocorticoid receptor may compensate for the loss of the glucocorticoid receptor at specific stages of mammary gland development. Mol Endocrinol. 2002 Sep;16(9):2008-18. [PubMed:12198239 ]
  5. Buckley TM, Mullen BC, Schatzberg AF: The acute effects of a mineralocorticoid receptor (MR) agonist on nocturnal hypothalamic-adrenal-pituitary (HPA) axis activity in healthy controls. Psychoneuroendocrinology. 2007 Sep-Nov;32(8-10):859-64. Epub 2007 Jul 30. [PubMed:17666187 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]