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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-13 09:57:11 UTC
Update Date2022-03-07 02:49:20 UTC
HMDB IDHMDB0004049
Secondary Accession Numbers
  • HMDB04049
Metabolite Identification
Common Name20-Hydroxy-PGF2a
Description20-Hydroxy PGF2a is the omega-oxidation product of PGF2alpha via P450 omega-oxidation. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787 , 3473507 ).
Structure
Data?1582752296
Synonyms
ValueSource
20-Hydroxy-PGF2alphaHMDB
9S,11S,15S,20-Tetrahydroxy-5Z,13E-prostadienoateHMDB
9S,11S,15S,20-Tetrahydroxy-5Z,13E-prostadienoic acidHMDB
(5Z)-7-[(3R,5S)-2-[(1E,3S)-3,8-Dihydroxyoct-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoateHMDB
Chemical FormulaC20H34O6
Average Molecular Weight370.4804
Monoisotopic Molecular Weight370.23553882
IUPAC Name(5Z)-7-[(3R,5S)-2-[(1E,3S)-3,8-dihydroxyoct-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Traditional Name20-hydroxy-PGF2a
CAS Registry NumberNot Available
SMILES
OCCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)C1C\C=C/CCCC(O)=O
InChI Identifier
InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16?,17?,18-,19+/m0/s1
InChI KeyXQXUYZDBZCLAQO-BFDMEJFDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentProstaglandins and related compounds
Alternative Parents
Substituents
  • Prostaglandin skeleton
  • Long-chain fatty acid
  • Hydroxy fatty acid
  • Cyclopentanol
  • Fatty acid
  • Unsaturated fatty acid
  • Cyclic alcohol
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Carbonyl group
  • Organooxygen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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 Solubility0.18 g/LALOGPS
logP2.6ALOGPS
logP1.17ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)4.36ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity102.4 m³·mol⁻¹ChemAxon
Polarizability42.09 ųChemAxon
Number of Rings1ChemAxon
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]+191.84131661259
DarkChem[M-H]-190.05231661259
DeepCCS[M+H]+200.72930932474
DeepCCS[M-H]-198.15830932474
DeepCCS[M-2H]-232.66230932474
DeepCCS[M+Na]+207.89130932474
AllCCS[M+H]+195.032859911
AllCCS[M+H-H2O]+192.532859911
AllCCS[M+NH4]+197.332859911
AllCCS[M+Na]+198.032859911
AllCCS[M-H]-193.532859911
AllCCS[M+Na-2H]-194.932859911
AllCCS[M+HCOO]-196.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
20-Hydroxy-PGF2aOCCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)C1C\C=C/CCCC(O)=O4752.7Standard polar33892256
20-Hydroxy-PGF2aOCCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)C1C\C=C/CCCC(O)=O2797.9Standard non polar33892256
20-Hydroxy-PGF2aOCCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)C1C\C=C/CCCC(O)=O3230.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
20-Hydroxy-PGF2a,1TMS,isomer #1C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O3239.8Semi standard non polar33892256
20-Hydroxy-PGF2a,1TMS,isomer #2C[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)CCCCCO3238.5Semi standard non polar33892256
20-Hydroxy-PGF2a,1TMS,isomer #3C[Si](C)(C)O[C@@H]1C[C@H](O)C(C/C=C\CCCC(=O)O)C1/C=C/[C@@H](O)CCCCCO3168.2Semi standard non polar33892256
20-Hydroxy-PGF2a,1TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@@H](O)C(/C=C/[C@@H](O)CCCCCO)C1C/C=C\CCCC(=O)O3181.6Semi standard non polar33892256
20-Hydroxy-PGF2a,1TMS,isomer #5C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O3157.1Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #1C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)O[Si](C)(C)C3216.9Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #10C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O[Si](C)(C)C3102.7Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #2C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O3147.8Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #3C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C)C[C@H]1O3127.8Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #4C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O[Si](C)(C)C3120.0Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #5C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C)[C@H](O)C[C@@H]1O3150.1Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #6C[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C)C[C@H]1O)CCCCCO3141.8Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #7C[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O[Si](C)(C)C)CCCCCO3125.3Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C)C(/C=C/[C@@H](O)CCCCCO)C1C/C=C\CCCC(=O)O3104.4Semi standard non polar33892256
20-Hydroxy-PGF2a,2TMS,isomer #9C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O[Si](C)(C)C)C[C@@H]1O3092.6Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #1C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C3093.0Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #10C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O[Si](C)(C)C)C[C@@H]1O[Si](C)(C)C3022.3Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #2C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C3070.8Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #3C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C3066.7Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #4C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O3033.6Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #5C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C3024.6Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #6C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C3038.4Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #7C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1O3025.8Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #8C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C)[C@H](O)C[C@@H]1O[Si](C)(C)C3033.1Semi standard non polar33892256
20-Hydroxy-PGF2a,3TMS,isomer #9C[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)CCCCCO3054.7Semi standard non polar33892256
20-Hydroxy-PGF2a,4TMS,isomer #1C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C3022.4Semi standard non polar33892256
20-Hydroxy-PGF2a,4TMS,isomer #2C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C3018.2Semi standard non polar33892256
20-Hydroxy-PGF2a,4TMS,isomer #3C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2998.8Semi standard non polar33892256
20-Hydroxy-PGF2a,4TMS,isomer #4C[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C2971.2Semi standard non polar33892256
20-Hydroxy-PGF2a,4TMS,isomer #5C[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1O[Si](C)(C)C2976.5Semi standard non polar33892256
20-Hydroxy-PGF2a,5TMS,isomer #1C[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2975.9Semi standard non polar33892256
20-Hydroxy-PGF2a,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O3488.8Semi standard non polar33892256
20-Hydroxy-PGF2a,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)CCCCCO3473.7Semi standard non polar33892256
20-Hydroxy-PGF2a,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](O)C(C/C=C\CCCC(=O)O)C1/C=C/[C@@H](O)CCCCCO3389.2Semi standard non polar33892256
20-Hydroxy-PGF2a,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O)C(/C=C/[C@@H](O)CCCCCO)C1C/C=C\CCCC(=O)O3404.9Semi standard non polar33892256
20-Hydroxy-PGF2a,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O3419.8Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C3733.9Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C3585.7Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O3664.7Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O3622.3Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C3602.4Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H]1O3656.6Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)CCCCCO3616.0Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)CCCCCO3604.4Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(/C=C/[C@@H](O)CCCCCO)C1C/C=C\CCCC(=O)O3505.1Semi standard non polar33892256
20-Hydroxy-PGF2a,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O3573.8Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C3892.4Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@@H](O)CCCCCO)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C3719.7Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)O[Si](C)(C)C(C)(C)C3827.0Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3829.5Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O3788.1Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C3783.4Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C3722.7Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O3790.1Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C3791.2Semi standard non polar33892256
20-Hydroxy-PGF2a,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)CCCCCO3738.0Semi standard non polar33892256
20-Hydroxy-PGF2a,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)O[Si](C)(C)C(C)(C)C3998.9Semi standard non polar33892256
20-Hydroxy-PGF2a,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4002.7Semi standard non polar33892256
20-Hydroxy-PGF2a,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCCCCC[C@@H](/C=C/C1C(C/C=C\CCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3966.7Semi standard non polar33892256
20-Hydroxy-PGF2a,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCCCCC[C@H](O)/C=C/C1C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C3930.9Semi standard non polar33892256
20-Hydroxy-PGF2a,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CCC/C=C\CC1C(/C=C/[C@H](CCCCCO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C3925.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 20-Hydroxy-PGF2a GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ufs-3469000000-3f5a7231cd9b56fcebd12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 20-Hydroxy-PGF2a GC-MS (4 TMS) - 70eV, Positivesplash10-006x-5200096000-ddce0e328076a6fe60b82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 20-Hydroxy-PGF2a 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 - 20-Hydroxy-PGF2a 10V, Positive-QTOFsplash10-0f79-0009000000-1d81707163f20b5075082017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 20V, Positive-QTOFsplash10-000i-1259000000-f6121b2ed0a3a0d74f722017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 40V, Positive-QTOFsplash10-052o-9685000000-e42643c4019d54ff6c3d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 10V, Negative-QTOFsplash10-0gb9-0009000000-a1b4bc08db3ab712c5cb2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 20V, Negative-QTOFsplash10-0uk9-0009000000-58c6c3a1c07703c626972017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 40V, Negative-QTOFsplash10-0a4i-9424000000-45a7ea56b9501fdba04d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 10V, Positive-QTOFsplash10-000i-0019000000-d2a5534feb9ee398345d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 20V, Positive-QTOFsplash10-000i-5597000000-e389242415be41c2f9262021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 40V, Positive-QTOFsplash10-0awl-9600000000-178b4fb1e089fb46b2ba2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 10V, Negative-QTOFsplash10-014i-0009000000-cd4fd4502522ad4209882021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 20V, Negative-QTOFsplash10-0le9-0029000000-e550fd86d0fc4b1d22482021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20-Hydroxy-PGF2a 40V, Negative-QTOFsplash10-0540-6695000000-0c2fa2da89d82b1d11a12021-09-24Wishart 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 IDFDB023291
KNApSAcK IDNot Available
Chemspider ID35013056
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53477777
PDB IDNot Available
ChEBI ID174935
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. Komoto J, Yamada T, Watanabe K, Woodward DF, Takusagawa F: Prostaglandin F2alpha formation from prostaglandin H2 by prostaglandin F synthase (PGFS): crystal structure of PGFS containing bimatoprost. Biochemistry. 2006 Feb 21;45(7):1987-96. [PubMed:16475787 ]
  2. Devereux TR, Fouts JR, Eling TE: Metabolism of prostaglandin PG-F2 alpha by freshly isolated alveolar type II cells from lungs of adult male or pregnant rabbits. Prostaglandins Leukot Med. 1987 Apr;27(1):43-52. [PubMed:3473507 ]