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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:08 UTC
HMDB IDHMDB0001244
Secondary Accession Numbers
  • HMDB01244
Metabolite Identification
Common Name15-Keto-13,14-dihydroprostaglandin A2
Description13,14-dihydro-15-keto PGA2 is produced via non-enzymatic dehydration of 13,14-dihydro-15-keto PGE2. PGE2 is the most common and most biologically active of the mammalian prostaglandins. It has important effects in labour and also stimulates osteoblasts to release factors which stimulate bone resorption by osteoclasts (a type of bone cell that removes bone tissue by removing the bone's mineralized matrix). (PMID: 16978535 , 7384561 , 7384560 )Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways.
Structure
Data?1582752186
Synonyms
ValueSource
(5Z)-9,15-Dioxo-prosta-5,10-dien-1-OateHMDB
(5Z)-9,15-Dioxo-prosta-5,10-dien-1-Oic acidHMDB
15-Keto-13,14-dihydro-pga2HMDB
9,15-Dioxo-5Z,10-prostadienoateHMDB
9,15-Dioxo-5Z,10-prostadienoic acidHMDB
DHK-PGA2HMDB
15-Keto-13,14-dihydroprostaglandin a2MeSH
Chemical FormulaC20H30O4
Average Molecular Weight334.4498
Monoisotopic Molecular Weight334.214409448
IUPAC Name(5Z)-7-[(1R,5S)-2-oxo-5-(3-oxooctyl)cyclopent-3-en-1-yl]hept-5-enoic acid
Traditional Name13,14-dihydro-15-keto-PGA2
CAS Registry Number74872-89-2
SMILES
CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
InChI Identifier
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
InChI KeyFMKLAIBZMCURLI-BFVRRIQPSA-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
  • Fatty acid
  • Unsaturated fatty acid
  • Cyclic ketone
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
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 Solubility0.012 g/LALOGPS
logP4.13ALOGPS
logP4.79ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area71.44 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity97.1 m³·mol⁻¹ChemAxon
Polarizability38.64 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]+184.3131661259
DarkChem[M-H]-182.43131661259
AllCCS[M+H]+187.58532859911
AllCCS[M-H]-188.67432859911
DeepCCS[M+H]+193.96530932474
DeepCCS[M-H]-191.60730932474
DeepCCS[M-2H]-225.61230932474
DeepCCS[M+Na]+200.83930932474
AllCCS[M+H]+187.632859911
AllCCS[M+H-H2O]+184.832859911
AllCCS[M+NH4]+190.232859911
AllCCS[M+Na]+190.932859911
AllCCS[M-H]-188.732859911
AllCCS[M+Na-2H]-190.032859911
AllCCS[M+HCOO]-191.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
15-Keto-13,14-dihydroprostaglandin A2CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O4283.2Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O2534.9Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O2668.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C2742.4Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer #2CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O2843.7Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer #3CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C2845.8Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer #4CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C2875.5Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C2806.3Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C2706.4Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C3024.3Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #2CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2815.9Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #2CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2772.0Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #2CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3210.1Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #3CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2821.6Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #3CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2770.0Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #3CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3149.4Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #4CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C2929.9Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #4CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C2702.7Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #4CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C3265.5Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #5CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C2939.6Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #5CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C2712.5Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TMS,isomer #5CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C3222.9Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TMS,isomer #1CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2919.6Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TMS,isomer #1CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2763.3Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TMS,isomer #1CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2974.9Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TMS,isomer #2CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2912.5Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TMS,isomer #2CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2765.8Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TMS,isomer #2CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2911.5Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,1TBDMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C2988.8Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,1TBDMS,isomer #2CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O3075.9Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,1TBDMS,isomer #3CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3088.1Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,1TBDMS,isomer #4CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3107.2Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C3286.7Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C3048.4Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #1CCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C3169.2Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #2CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3294.5Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #2CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3129.6Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #2CCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3298.7Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #3CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3290.2Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #3CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3124.4Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #3CCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3244.7Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #4CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3372.9Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #4CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3041.9Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #4CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3386.9Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #5CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3363.7Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #5CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3050.0Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,2TBDMS,isomer #5CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C3342.5Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TBDMS,isomer #1CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3600.0Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TBDMS,isomer #1CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3239.2Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TBDMS,isomer #1CCCCCC(=CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3167.2Standard polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TBDMS,isomer #2CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3576.3Semi standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TBDMS,isomer #2CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3237.0Standard non polar33892256
15-Keto-13,14-dihydroprostaglandin A2,3TBDMS,isomer #2CCCCC=C(CC[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)=C1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3117.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bti-5290000000-24254cd7666bb88650bd2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 GC-MS (1 TMS) - 70eV, Positivesplash10-005c-9077000000-1d776bc4aeae048804552017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 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 - 15-Keto-13,14-dihydroprostaglandin A2 10V, Positive-QTOFsplash10-014r-0059000000-cd839316fe5c8de8c7ab2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 20V, Positive-QTOFsplash10-01bj-5492000000-9aa476ddaf4afa586e702017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 40V, Positive-QTOFsplash10-0fld-9220000000-6da9eac652a9a4ea517a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 10V, Negative-QTOFsplash10-001i-0019000000-8160ad86f6fc73dd61592017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 20V, Negative-QTOFsplash10-02ar-3389000000-6cb0f8955f9e692128e72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 40V, Negative-QTOFsplash10-0bt9-9530000000-5fe451a36aa6da7d69822017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 10V, Positive-QTOFsplash10-00kb-1096000000-eacb9c1ff50ad48528822021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 20V, Positive-QTOFsplash10-01c1-9872000000-8c21341c86a39e4e5d152021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 40V, Positive-QTOFsplash10-00pl-9310000000-d513eb33cb41aabbbfb82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 10V, Negative-QTOFsplash10-001i-0009000000-fdef3b9ecd8b738341ea2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 20V, Negative-QTOFsplash10-01po-7934000000-eb3c7c6b54ab436cf1d92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Keto-13,14-dihydroprostaglandin A2 40V, Negative-QTOFsplash10-0a4i-9620000000-fd6316281d8ae18eec632021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.000130 +/- 0.000059 uMAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022509
KNApSAcK IDNot Available
Chemspider ID4446169
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283042
PDB IDNot Available
ChEBI ID89315
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. Harizi H, Gualde N: Pivotal role of PGE2 and IL-10 in the cross-regulation of dendritic cell-derived inflammatory mediators. Cell Mol Immunol. 2006 Aug;3(4):271-7. [PubMed:16978535 ]
  2. Granstrom E, Hamberg M, Hansson G, Kindahl H: Chemical instability of 15-keto-13,14-dihydro-PGE2: the reason for low assay reliability. Prostaglandins. 1980 Jun;19(6):933-57. [PubMed:7384561 ]
  3. Fitzpatrick FA, Aguirre R, Pike JE, Lincoln FH: The stability of 13,14-dihydro-15 keto-PGE2. Prostaglandins. 1980 Jun;19(6):917-31. [PubMed:7384560 ]