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 15:39:02 UTC
HMDB IDHMDB0014758
Secondary Accession Numbers
  • HMDB14758
Metabolite Identification
Common NameTriamcinolone
DescriptionTriamcinolone is only found in individuals that have used or taken this drug. It is a glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739)The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Firstly, however, these glucocorticoids bind to the glucocorticoid receptors which translocate into the nucleus and bind DNA (GRE) and change genetic expression both positively and negatively. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding.
Structure
Data?1582753218
Synonyms
ValueSource
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dioneChEBI
9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dioneChEBI
9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dioneChEBI
9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dioneChEBI
9alpha-Fluoro-16alpha-hydroxyprednisoloneChEBI
FluoxyprednisoloneChEBI
TriamcinolonaChEBI
TriamcinolonumChEBI
AristocortKegg
KenacortKegg
11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dioneGenerator
11Β,16α,17α,21-tetrahydroxy-9α-fluoro-1,4-pregnadiene-3,20-dioneGenerator
9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dioneGenerator
9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dioneGenerator
9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dioneGenerator
9Α-fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dioneGenerator
9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dioneGenerator
9Α-fluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dioneGenerator
9a-Fluoro-16a-hydroxyprednisoloneGenerator
9Α-fluoro-16α-hydroxyprednisoloneGenerator
FluoxiprednisoloneHMDB
TriamcinaloneHMDB
Triamcinolone acetonideHMDB
Triamcinolone diacetateHMDB
Triamcinolone hexacetonideHMDB
VolonHMDB
Chemical FormulaC21H27FO6
Average Molecular Weight394.4339
Monoisotopic Molecular Weight394.179166801
IUPAC Name(1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
Traditional Name(1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
CAS Registry Number124-94-7
SMILES
[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
InChI Identifier
InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
InChI KeyGFNANZIMVAIWHM-OBYCQNJPSA-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-1,4-steroid
  • 3-oxosteroid
  • 9-halo-steroid
  • 17-hydroxysteroid
  • 16-hydroxysteroid
  • 11-hydroxysteroid
  • 16-alpha-hydroxysteroid
  • 11-beta-hydroxysteroid
  • Halo-steroid
  • Oxosteroid
  • Delta-1,4-steroid
  • Alpha-hydroxy ketone
  • Cyclic alcohol
  • Tertiary alcohol
  • Fluorohydrin
  • Cyclic ketone
  • Halohydrin
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Primary alcohol
  • Alkyl halide
  • Organofluoride
  • Alcohol
  • Alkyl fluoride
  • Organohalogen compound
  • 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 Point274 - 278 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.85 g/LNot Available
LogP0.2Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available186.763http://allccs.zhulab.cn/database/detail?ID=AllCCS00001182
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.85 g/LALOGPS
logP10(0.84) g/LALOGPS
logP10(0.24) g/LChemAxon
logS10(-2.7) g/LALOGPS
pKa (Strongest Acidic)11.75ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area115.06 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity99.38 m³·mol⁻¹ChemAxon
Polarizability39.8 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Triamcinolone[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C4364.7Standard polar33892256
Triamcinolone[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C2987.1Standard non polar33892256
Triamcinolone[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C3114.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Triamcinolone,1TMS,isomer #1C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=O)CO3387.9Semi standard non polar33892256
Triamcinolone,1TMS,isomer #2C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=O)CO3397.2Semi standard non polar33892256
Triamcinolone,1TMS,isomer #3C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO[Si](C)(C)C3424.9Semi standard non polar33892256
Triamcinolone,1TMS,isomer #4C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO3353.2Semi standard non polar33892256
Triamcinolone,1TMS,isomer #5C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=CO)O[Si](C)(C)C3367.3Semi standard non polar33892256
Triamcinolone,2TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=O)CO3289.6Semi standard non polar33892256
Triamcinolone,2TMS,isomer #10C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=CO)O[Si](C)(C)C3271.7Semi standard non polar33892256
Triamcinolone,2TMS,isomer #2C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=O)CO3373.8Semi standard non polar33892256
Triamcinolone,2TMS,isomer #3C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=O)CO[Si](C)(C)C3359.6Semi standard non polar33892256
Triamcinolone,2TMS,isomer #4C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=CO)O[Si](C)(C)C3310.1Semi standard non polar33892256
Triamcinolone,2TMS,isomer #5C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=O)CO3316.1Semi standard non polar33892256
Triamcinolone,2TMS,isomer #6C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3420.9Semi standard non polar33892256
Triamcinolone,2TMS,isomer #7C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3338.5Semi standard non polar33892256
Triamcinolone,2TMS,isomer #8C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO[Si](C)(C)C3333.5Semi standard non polar33892256
Triamcinolone,2TMS,isomer #9C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3343.9Semi standard non polar33892256
Triamcinolone,3TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=O)CO3290.6Semi standard non polar33892256
Triamcinolone,3TMS,isomer #10C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3241.8Semi standard non polar33892256
Triamcinolone,3TMS,isomer #2C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=O)CO[Si](C)(C)C3249.1Semi standard non polar33892256
Triamcinolone,3TMS,isomer #3C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=CO)O[Si](C)(C)C3213.2Semi standard non polar33892256
Triamcinolone,3TMS,isomer #4C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3380.2Semi standard non polar33892256
Triamcinolone,3TMS,isomer #5C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3279.1Semi standard non polar33892256
Triamcinolone,3TMS,isomer #6C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3268.8Semi standard non polar33892256
Triamcinolone,3TMS,isomer #7C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3326.7Semi standard non polar33892256
Triamcinolone,3TMS,isomer #8C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3242.5Semi standard non polar33892256
Triamcinolone,3TMS,isomer #9C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3320.5Semi standard non polar33892256
Triamcinolone,4TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3301.3Semi standard non polar33892256
Triamcinolone,4TMS,isomer #2C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3227.0Semi standard non polar33892256
Triamcinolone,4TMS,isomer #3C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3194.3Semi standard non polar33892256
Triamcinolone,4TMS,isomer #4C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3271.6Semi standard non polar33892256
Triamcinolone,4TMS,isomer #5C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3251.5Semi standard non polar33892256
Triamcinolone,5TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3209.8Semi standard non polar33892256
Triamcinolone,5TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3388.8Standard non polar33892256
Triamcinolone,5TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3455.3Standard polar33892256
Triamcinolone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO3612.3Semi standard non polar33892256
Triamcinolone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@]1(C(=O)CO)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3631.5Semi standard non polar33892256
Triamcinolone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3676.3Semi standard non polar33892256
Triamcinolone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F3571.3Semi standard non polar33892256
Triamcinolone,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3600.8Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F3747.4Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3712.5Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)CO3817.7Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3836.5Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3745.5Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3887.2Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F3774.7Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3807.8Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3813.1Semi standard non polar33892256
Triamcinolone,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3811.6Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F3955.4Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3912.7Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3940.4Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3881.0Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C4053.2Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3961.6Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C3932.8Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4008.1Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #8CC(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)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C4007.3Semi standard non polar33892256
Triamcinolone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3938.1Semi standard non polar33892256
Triamcinolone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4164.7Semi standard non polar33892256
Triamcinolone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4084.1Semi standard non polar33892256
Triamcinolone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4033.1Semi standard non polar33892256
Triamcinolone,4TBDMS,isomer #4CC(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)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C4131.2Semi standard non polar33892256
Triamcinolone,4TBDMS,isomer #5CC(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)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4109.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Triamcinolone GC-MS (Non-derivatized) - 70eV, Positivesplash10-05q9-4958000000-8d5e298bc84911e269f12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Triamcinolone GC-MS (4 TMS) - 70eV, Positivesplash10-014i-1304009000-a6db8dfa34bd6ccf8bd62017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Triamcinolone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Triamcinolone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-00di-2931000000-ee37afbf8c285181a3402014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone LC-ESI-qTof , Positive-QTOFsplash10-006t-3970000000-70c8dcf068945a18ecdd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone , positive-QTOFsplash10-006t-3970000000-70c8dcf068945a18ecdd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 30V, Negative-QTOFsplash10-002b-0009000000-139556289d74866f2be32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 20V, Positive-QTOFsplash10-0a70-0296000000-07efad54f91e2f4f8da92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 10V, Positive-QTOFsplash10-004j-0019000000-2a242af1cc09f059e5252021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 20V, Negative-QTOFsplash10-0002-0009000000-8c3845c2bd0bb91f66582021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 90V, Positive-QTOFsplash10-00mo-2910000000-8b5e71de002c589e636a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 30V, Positive-QTOFsplash10-020a-0490000000-0f3f7ce5872fa7f7533a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 40V, Positive-QTOFsplash10-0592-0790000000-f2eacbf26900597c87ff2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 10V, Negative-QTOFsplash10-0002-0009000000-471ea538b5d986e0c4df2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 45V, Positive-QTOFsplash10-00dj-1960000000-5d9e6e746dc7653050422021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 15V, Negative-QTOFsplash10-0002-0009000000-ce41bd6a5080c4c10c1c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 50V, Positive-QTOFsplash10-0592-0960000000-cd971a61830ca6619b632021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 45V, Positive-QTOFsplash10-00dj-1960000000-b64d7111d5289725129b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 30V, Positive-QTOFsplash10-01rj-0491000000-c7e04bfdda68e0cbc0a72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 40V, Negative-QTOFsplash10-004i-0009000000-a7af8c93633183e5865e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 30V, Negative-QTOFsplash10-002b-0009000000-9f249447972141b9bceb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 50V, Positive-QTOFsplash10-0592-0960000000-a77f2165c6e21f53b6c32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triamcinolone 15V, Positive-QTOFsplash10-0a4r-0279000000-2f221b536c1c36be4e8c2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triamcinolone 10V, Positive-QTOFsplash10-004j-0009000000-7c85eb6f9e8e9630084d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triamcinolone 20V, Positive-QTOFsplash10-0a4i-6039000000-53d51d2a92776995454c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triamcinolone 40V, Positive-QTOFsplash10-0ap0-2194000000-072453c8d1ed2f28f6f82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triamcinolone 10V, Negative-QTOFsplash10-000f-0009000000-35cd67a7424fc78754b72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triamcinolone 20V, Negative-QTOFsplash10-0a4i-4009000000-2aa7a537a1470cde71692016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triamcinolone 40V, Negative-QTOFsplash10-0aou-6049000000-68d446beab8eb3cdcbcc2016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
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 DB00620 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00620 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00620
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID29046
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTriamcinolone
METLIN IDNot Available
PubChem Compound31307
PDB IDNot Available
ChEBI ID9667
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
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.