Hmdb loader
Survey
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 Date2009-07-25 00:03:57 UTC
Update Date2022-03-07 02:51:27 UTC
HMDB IDHMDB0012612
Secondary Accession Numbers
  • HMDB12612
Metabolite Identification
Common Name19-Hydroxydeoxycorticosterone
Description19-hydroxydeoxycorticosterone (19,21-dihydroxy-4-pregnen-3,20-dione), 19-oxo-deoxycorticosterone (21-hydroxy-4-pregnen-3,19,20-trione), and 19-oic-deoxycorticosterone (19-oic-21-hydroxy-4-pregnen-3,20-dione)are formed from precursor deoxycorticosterone by adrenal glands obtained from intact rats and from rats undergoing adrenal regeneration.rat adrenals have the enzymes required to convert deoxycorticosterone to 19-hydroxydeoxycorticosterone, 19-oxo-deoxycorticosterone, and 19-oic-deoxycorticosterone; however, rat adrenals do not convert deoxycorticosterone or any of the oxygenated metabolites to 19-nor-deoxycorticosterone (21-hydroxy-19-nor-4-pregnen-3,20-dione). It is possible, however, that 19-nor-deoxycorticosterone is formed at peripheral sites from the oxygenated deoxycorticosterone precursors.
Structure
Data?1582753069
Synonyms
ValueSource
11-Deoxy-19-hydroxycorticosteroneHMDB
11-Desoxy-19-hydroxycorticosteroneHMDB
19,21-Dihydroxy-4-pregnene-3,20-dioneHMDB
19,21-Dihydroxypregn-4-ene-3,20-dioneHMDB
19-Hydroxy-11-deoxycorticosteroneHMDB
19-Hydroxy-11-desoxycorticosteroneHMDB
19-HydroxydeoxycorticosteroneMeSH
Chemical FormulaC21H30O4
Average Molecular Weight346.4605
Monoisotopic Molecular Weight346.214409448
IUPAC Name(2S,14S,15S)-14-(2-hydroxyacetyl)-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
Traditional Name(2S,14S,15S)-14-(2-hydroxyacetyl)-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
CAS Registry Number2394-23-2
SMILES
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(=O)CO
InChI Identifier
InChI=1S/C21H30O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,15-18,22-23H,2-9,11-12H2,1H3/t15?,16?,17?,18-,20+,21-/m1/s1
InChI KeyLFISWQXWWGJHBL-RJPFGDFGSA-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
  • Oxosteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Alpha-hydroxy ketone
  • Cyclic ketone
  • Ketone
  • Organic oxygen compound
  • Organooxygen compound
  • Primary alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
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 Solubility0.025 g/LALOGPS
logP2.22ALOGPS
logP2.05ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)13.86ChemAxon
pKa (Strongest Basic)-0.97ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity96.18 m³·mol⁻¹ChemAxon
Polarizability38.96 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]+180.49131661259
DarkChem[M-H]-178.34331661259
DeepCCS[M-2H]-219.25530932474
DeepCCS[M+Na]+194.88930932474
AllCCS[M+H]+185.732859911
AllCCS[M+H-H2O]+183.032859911
AllCCS[M+NH4]+188.132859911
AllCCS[M+Na]+188.832859911
AllCCS[M-H]-189.532859911
AllCCS[M+Na-2H]-189.932859911
AllCCS[M+HCOO]-190.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
19-HydroxydeoxycorticosteroneC[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(=O)CO2917.9Standard polar33892256
19-HydroxydeoxycorticosteroneC[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(=O)CO2943.6Standard non polar33892256
19-HydroxydeoxycorticosteroneC[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(=O)CO3303.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
19-Hydroxydeoxycorticosterone,1TMS,isomer #1C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3288.9Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TMS,isomer #2C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3337.7Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TMS,isomer #3C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO)C1CCC2=C(CO)O[Si](C)(C)C3254.7Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TMS,isomer #4C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CC[C@@H]2C(=O)CO3226.9Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TMS,isomer #5C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3234.7Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #1C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3331.4Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #2C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C3264.8Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #3C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3214.6Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #4C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3218.4Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #5C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3324.8Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #6C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3241.2Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #7C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3320.5Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #8C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CCC2=C(CO)O[Si](C)(C)C3216.4Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TMS,isomer #9C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3171.3Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #1C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3297.0Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #1C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3258.8Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #1C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3644.6Standard polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #2C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3201.7Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #2C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3277.7Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #2C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3647.8Standard polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #3C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3297.8Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #3C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3210.5Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #3C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3655.0Standard polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #4C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C3185.6Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #4C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C3228.8Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #4C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C3677.2Standard polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #5C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3131.7Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #5C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3209.0Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #5C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3700.0Standard polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #6C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3236.8Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #6C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3294.2Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #6C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3718.5Standard polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #7C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3232.7Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #7C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3279.0Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TMS,isomer #7C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3736.1Standard polar33892256
19-Hydroxydeoxycorticosterone,4TMS,isomer #1C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3192.9Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,4TMS,isomer #1C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3315.7Standard non polar33892256
19-Hydroxydeoxycorticosterone,4TMS,isomer #1C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C3575.3Standard polar33892256
19-Hydroxydeoxycorticosterone,4TMS,isomer #2C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3191.3Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,4TMS,isomer #2C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3274.4Standard non polar33892256
19-Hydroxydeoxycorticosterone,4TMS,isomer #2C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3620.7Standard polar33892256
19-Hydroxydeoxycorticosterone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)CO3556.6Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@@]21C3629.0Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C3538.1Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(CO)C(=C1)CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)CO3498.3Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@@]21C3481.0Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3848.5Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC123786.6Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)CO3678.7Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3660.1Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C3846.8Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@@]21C3781.8Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO)C3CC[C@@]21C3755.9Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(CO)C(=C1)CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC123726.3Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(CO)C(=C1)CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3645.6Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@]12C4012.5Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@]12C3981.2Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@]12C3909.2Standard polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3946.3Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3916.2Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3920.7Standard polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3873.9Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3951.7Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3898.9Standard polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC123875.0Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC123879.8Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC123926.6Standard polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3791.4Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3846.8Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3946.0Standard polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO)C3CC[C@]12C3927.2Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO)C3CC[C@]12C3946.8Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO)C3CC[C@]12C3956.4Standard polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO)C3CC[C@@]21C3871.5Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO)C3CC[C@@]21C3915.8Standard non polar33892256
19-Hydroxydeoxycorticosterone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO)C3CC[C@@]21C3983.3Standard polar33892256
19-Hydroxydeoxycorticosterone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@]12C4071.3Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@]12C4141.5Standard non polar33892256
19-Hydroxydeoxycorticosterone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@]12C3826.3Standard polar33892256
19-Hydroxydeoxycorticosterone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C4047.5Semi standard non polar33892256
19-Hydroxydeoxycorticosterone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C4056.1Standard non polar33892256
19-Hydroxydeoxycorticosterone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(CO[Si](C)(C)C(C)(C)C)C3CC[C@@]21C3862.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 19-Hydroxydeoxycorticosterone GC-MS (Non-derivatized) - 70eV, Positivesplash10-014r-0698000000-e450ee7f7ccb54fbdf662017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 19-Hydroxydeoxycorticosterone GC-MS (2 TMS) - 70eV, Positivesplash10-004i-1221900000-b7120f6c4181d8b4d0c32017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 19-Hydroxydeoxycorticosterone 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 - 19-Hydroxydeoxycorticosterone 10V, Positive-QTOFsplash10-004j-0019000000-cc4d3d3c49582010d0272017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 20V, Positive-QTOFsplash10-02dj-1149000000-1f500bb7b6d06f160c262017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 40V, Positive-QTOFsplash10-0829-2492000000-b348538d543eb57775492017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 10V, Negative-QTOFsplash10-0002-0009000000-fd47db5e7ddf9fedd5862017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 20V, Negative-QTOFsplash10-00kb-2079000000-fb262df1642870d219692017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 40V, Negative-QTOFsplash10-0a4i-2091000000-e8faf53b3e5d6f075a822017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 10V, Negative-QTOFsplash10-0002-0019000000-401f8b6128f729c152c82021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 20V, Negative-QTOFsplash10-0a5a-0095000000-b6b1e963e9f8ea315f7f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 40V, Negative-QTOFsplash10-0aos-1193000000-715d5aa23e582810511f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 10V, Positive-QTOFsplash10-0002-0049000000-24c346bc4666a7de9af32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 20V, Positive-QTOFsplash10-0a4i-0092000000-3cf80fb7e149423d54ce2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 19-Hydroxydeoxycorticosterone 40V, Positive-QTOFsplash10-0c09-0920000000-28df7699cf101e737c012021-09-25Wishart 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 IDFDB029150
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481497
PDB IDNot Available
ChEBI IDNot Available
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.