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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-07-09 16:16:10 UTC
Update Date2021-09-14 15:40:18 UTC
HMDB IDHMDB0061064
Secondary Accession Numbers
  • HMDB61064
Metabolite Identification
Common Name2-beta-hydroxymedroxyprogesterone
Description2-beta-hydroxymedroxyprogesterone is a metabolite of medroxyprogesterone. Medroxyprogesterone, also known as 17α-hydroxy-6α-methylprogesterone, and abbreviated as MP, is a steroidal progestin drug which was never marketed for use in humans. An acylated derivative, medroxyprogesterone acetate (MPA), is clinically used as a pharmaceutical medicine. Compared to MPA, MP is over two orders of magnitude less potent as a progestogen. As such, MP itself is not used clinically, though it has seen limited use in veterinary medicine under the trade name Controlestril in France. (Wikipedia)
Structure
Data?1563866141
Synonyms
ValueSource
7-Hydroxy-1-methyl-N-(endo-9-methyl-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamideMeSH
2-b-HydroxymedroxyprogesteroneGenerator
2-Β-hydroxymedroxyprogesteroneGenerator
Chemical FormulaC22H32O4
Average Molecular Weight360.4871
Monoisotopic Molecular Weight360.230059512
IUPAC Name(2R,4S,8S,14R,15S)-14-acetyl-4,14-dihydroxy-2,8,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
Traditional Name(2R,4S,8S,14R,15S)-14-acetyl-4,14-dihydroxy-2,8,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
CAS Registry NumberNot Available
SMILES
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)C[C@H](O)C(=O)C=C12
InChI Identifier
InChI=1S/C22H32O4/c1-12-9-14-15(20(3)11-19(25)18(24)10-17(12)20)5-7-21(4)16(14)6-8-22(21,26)13(2)23/h10,12,14-16,19,25-26H,5-9,11H2,1-4H3/t12-,14?,15?,16?,19-,20+,21-,22-/m0/s1
InChI KeyBGEJDLFWYUUIAP-CFHVOHOGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as indazole-3-carboxamides. These are aromatic compounds containing an indazole ring system that is substituted at the 3-position with a carboxamide group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrazoles
Sub ClassIndazoles
Direct ParentIndazole-3-carboxamides
Alternative Parents
Substituents
  • Indazole-3-carboxamide
  • 2-heteroaryl carboxamide
  • Pyrazole-5-carboxamide
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Piperidine
  • Benzenoid
  • Azole
  • Pyrazole
  • Heteroaromatic compound
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Tertiary amine
  • Tertiary aliphatic amine
  • Amino acid or derivatives
  • Carboxylic acid derivative
  • Azacycle
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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 Solubility0.028 g/LALOGPS
logP2.92ALOGPS
logP2.82ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)12.62ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity100.15 m³·mol⁻¹ChemAxon
Polarizability40.91 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]+180.73931661259
DarkChem[M-H]-177.88131661259
DeepCCS[M-2H]-220.80530932474
DeepCCS[M+Na]+196.22930932474
AllCCS[M+H]+189.032859911
AllCCS[M+H-H2O]+186.432859911
AllCCS[M+NH4]+191.532859911
AllCCS[M+Na]+192.232859911
AllCCS[M-H]-194.032859911
AllCCS[M+Na-2H]-194.732859911
AllCCS[M+HCOO]-195.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-beta-hydroxymedroxyprogesteroneC[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)C[C@H](O)C(=O)C=C123467.8Standard polar33892256
2-beta-hydroxymedroxyprogesteroneC[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)C[C@H](O)C(=O)C=C122827.3Standard non polar33892256
2-beta-hydroxymedroxyprogesteroneC[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)C[C@H](O)C(=O)C=C123081.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-beta-hydroxymedroxyprogesterone,1TMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C3185.1Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,1TMS,isomer #2CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3154.2Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,1TMS,isomer #3CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3163.4Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,1TMS,isomer #4C=C(O[Si](C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C3077.9Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3132.5Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TMS,isomer #2CC(=O)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3141.1Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TMS,isomer #3C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C3089.4Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TMS,isomer #4CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3113.8Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TMS,isomer #5C=C(O[Si](C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3016.7Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TMS,isomer #6C=C(O[Si](C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3014.0Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3091.5Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3048.1Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3359.8Standard polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #2C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3018.5Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #2C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3042.2Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #2C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3427.5Standard polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #3C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3025.4Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #3C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3029.6Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #3C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3602.0Standard polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #4C=C(O[Si](C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C2992.6Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #4C=C(O[Si](C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3034.1Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TMS,isomer #4C=C(O[Si](C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3519.7Standard polar33892256
2-beta-hydroxymedroxyprogesterone,4TMS,isomer #1C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3012.4Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,4TMS,isomer #1C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3088.5Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,4TMS,isomer #1C=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C3378.4Standard polar33892256
2-beta-hydroxymedroxyprogesterone,1TBDMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C3423.8Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,1TBDMS,isomer #2CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3386.7Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,1TBDMS,isomer #3CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3411.6Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,1TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C3327.8Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TBDMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3595.9Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TBDMS,isomer #2CC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3622.2Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C3576.0Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TBDMS,isomer #4CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3577.1Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3498.9Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,2TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3489.7Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3742.2Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3669.3Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #1CC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3615.3Standard polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3689.6Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3728.9Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3668.9Standard polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3691.6Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3688.8Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C[C@]4(C)C3CC[C@@]21C3859.1Standard polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3654.8Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3630.0Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,3TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3771.3Standard polar33892256
2-beta-hydroxymedroxyprogesterone,4TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3812.2Semi standard non polar33892256
2-beta-hydroxymedroxyprogesterone,4TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3794.2Standard non polar33892256
2-beta-hydroxymedroxyprogesterone,4TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2C3C[C@H](C)C4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@]4(C)C3CC[C@@]21C3653.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-beta-hydroxymedroxyprogesterone GC-MS (Non-derivatized) - 70eV, Positivesplash10-00rm-3397000000-86b32b1feca2cb3fcced2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-beta-hydroxymedroxyprogesterone GC-MS (2 TMS) - 70eV, Positivesplash10-000m-3037900000-553c7e3d51b4acd361b72017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-beta-hydroxymedroxyprogesterone 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 - 2-beta-hydroxymedroxyprogesterone 10V, Positive-QTOFsplash10-03di-0009000000-9333100301b4206bc8d92017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 20V, Positive-QTOFsplash10-01pc-0297000000-8b524b790ea83739da4b2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 40V, Positive-QTOFsplash10-0g4r-1390000000-0fcb36348316b7a200652017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 10V, Negative-QTOFsplash10-0a4i-0009000000-967f0bd3e8a803081d722017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 20V, Negative-QTOFsplash10-066r-0019000000-e69a84a24231c28471442017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 40V, Negative-QTOFsplash10-000i-0097000000-18981aa1f4ab5f3d3f572017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 10V, Positive-QTOFsplash10-03dl-0019000000-25ddf8a5d1208a8f332c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 20V, Positive-QTOFsplash10-02bf-1769000000-e1736e75ac544f96403e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 40V, Positive-QTOFsplash10-0a4l-5490000000-b11b64d475fb0466558a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 10V, Negative-QTOFsplash10-0a4i-0009000000-d4ae97a4a0f59e46ed8a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 20V, Negative-QTOFsplash10-0a4l-0009000000-00e14560f7eefa1a44312021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-beta-hydroxymedroxyprogesterone 40V, Negative-QTOFsplash10-07vi-0029000000-e0c3b4220f971188b9a52021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane (predicted from logP)
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound46233635
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.