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 Date2006-05-22 14:17:30 UTC
Update Date2021-09-14 14:57:15 UTC
HMDB IDHMDB0001979
Secondary Accession Numbers
  • HMDB01979
Metabolite Identification
Common Name6,15-Diketo,13,14-dihydro-PGF1a
Description6,15-diketo,13,14-dihydro-PGF1 alpha is a minor metabolite of prostacyclin (PGI2). Prostacyclin (PGI2) is one of the major vascular protectors against thrombosis and vasoconstriction, caused by thromboxane A(2). PGI2 inhibits platelet aggregation and vasoconstriction. PGI2 synthase (PGIS), a catalyst of PGI2 formation from prostaglandin H2, is widely distributed and predominantly found in vascular endothelial and smooth muscle cells. PGI2 plays an important cardioprotective role increasingly appreciated in recent years in light of adverse effects of COX-2 inhibitors in clinical trials. This cardioprotection is thought to be mediated, in part, by prostacyclin inhibition of platelet aggregation. Multiple lines of evidence suggest that prostacyclin additionally protects from cardiovascular disease by pleiotropic effects on vascular smooth muscle. PGI2 inhibits proliferation of cultured vascular SMCs by inhibiting cell cycle progression from G1 to S phase. Progression through G1 phase is regulated by the sequential activation of the G1 phase cyclin-dependent kinases (cdks). (PMID: 7000774 , 6231483 , 16303599 , 16533160 , 17073611 , 17164138 ).
Structure
Data?1582752221
Synonyms
ValueSource
6,15-Dioxo-9S,11R-dihydroxy-13E-prostenoic acidChEBI
6,15DK,13,14DH-PGF1aChEBI
6,15-Dioxo-9S,11R-dihydroxy-13E-prostenoateGenerator
6,15-diketo,13,14-dihydro-PGF1alphaHMDB
6,15-diketo-13,14-dihydro-PGF1aHMDB
6,15-Diketo,13,14-dihydroprostaglandin F1aGenerator, HMDB
6,15-Diketo,13,14-dihydroprostaglandin F1αGenerator, HMDB
Chemical FormulaC20H32O6
Average Molecular Weight368.4645
Monoisotopic Molecular Weight368.219888756
IUPAC Name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]-6-oxoheptanoic acid
Traditional Name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]-6-oxoheptanoic acid
CAS Registry Number63446-59-3
SMILES
CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O
InChI Identifier
InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,16-19,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t16-,17-,18-,19+/m1/s1
InChI KeyVKPWUQVGTPVEMU-QVPQFPIISA-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
  • Keto fatty acid
  • Cyclopentanol
  • Alpha,beta-unsaturated ketone
  • Cyclic alcohol
  • Enone
  • Acryloyl-group
  • Secondary alcohol
  • Ketone
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Alcohol
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
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 Solubility0.16 g/LALOGPS
logP2.04ALOGPS
logP2.21ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)4.14ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area111.9 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity99.1 m³·mol⁻¹ChemAxon
Polarizability41.09 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
AllCCS[M+H]+195.66932859911
AllCCS[M-H]-193.52732859911
DeepCCS[M+H]+201.02430932474
DeepCCS[M-H]-198.62830932474
DeepCCS[M-2H]-231.83230932474
DeepCCS[M+Na]+206.9330932474
AllCCS[M+H]+195.732859911
AllCCS[M+H-H2O]+193.132859911
AllCCS[M+NH4]+198.032859911
AllCCS[M+Na]+198.732859911
AllCCS[M-H]-193.532859911
AllCCS[M+Na-2H]-194.732859911
AllCCS[M+HCOO]-196.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6,15-Diketo,13,14-dihydro-PGF1aCCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O4830.1Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1aCCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O2728.7Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1aCCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O3042.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6,15-Diketo,13,14-dihydro-PGF1a,1TMS,isomer #1CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O2866.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O2858.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TMS,isomer #3CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C2958.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C3274.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TMS,isomer #5CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C3070.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TMS,isomer #6CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O3006.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #1CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O2832.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #10CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3222.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #11CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3032.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #12CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O2996.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #13CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3358.4Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #14CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C3319.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C2835.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #3CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C3171.4Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #4CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C2971.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #5CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C2966.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #6CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C2837.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #7CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C3147.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #8CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C2982.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TMS,isomer #9CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O2964.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #1CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C2792.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #10CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3107.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #11CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2927.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #12CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O2912.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #13CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3269.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #14CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C3258.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #15CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3306.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #16CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C3283.2Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #2CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C3142.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #3CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C2925.2Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #4CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C2941.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #5CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3129.4Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #6CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2923.4Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #7CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C2918.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3278.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C3266.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3110.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2876.9Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3203.7Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2905.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2888.3Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3079.1Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #3CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C2912.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #3CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C2837.0Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #3CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C3102.1Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3232.2Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2846.1Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3425.3Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #5CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C3238.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #5CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C2787.9Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #5CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C3442.3Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #6CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3224.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #6CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2904.2Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #6CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3382.3Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #7CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C3219.4Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #7CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2864.1Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #7CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C3500.2Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3208.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2926.1Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3482.5Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C3203.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C2860.3Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C3487.1Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,5TMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3173.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,5TMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2876.6Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,5TMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3158.8Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,5TMS,isomer #2CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C3186.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,5TMS,isomer #2CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2821.5Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,5TMS,isomer #2CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C3174.4Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TBDMS,isomer #1CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O3105.8Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TBDMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O3110.8Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TBDMS,isomer #3CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C3258.2Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TBDMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3533.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TBDMS,isomer #5CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3332.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,1TBDMS,isomer #6CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O3257.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #1CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O3326.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #10CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3756.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #11CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3559.8Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #12CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O3502.2Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #13CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3833.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #14CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C3776.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C3352.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #3CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3645.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #4CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3447.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #5CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C3422.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #6CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C3355.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #7CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3619.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #8CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3451.8Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,2TBDMS,isomer #9CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O3425.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #1CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C3552.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #10CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3853.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #11CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3668.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #12CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O3633.2Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #13CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3937.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #14CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C3898.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #15CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3999.4Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #16CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C3972.8Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #2CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3813.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #3CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C3647.2Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #4CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C3630.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #5CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3878.5Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #6CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3677.8Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #7CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C3622.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3950.7Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,3TBDMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C3912.6Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4018.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3505.7Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #1CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3462.8Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3828.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3544.3Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #2CCCCCC(=O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3365.0Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #3CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C3789.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #3CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C3493.3Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #3CCCCCC(=O)/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C3375.0Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4092.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3492.4Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #4CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3614.1Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #5CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C)O[Si](C)(C)C(C)(C)C4059.1Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #5CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C)O[Si](C)(C)C(C)(C)C3436.8Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #5CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)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)C)O[Si](C)(C)C(C)(C)C3624.2Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #6CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4119.3Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #6CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3549.3Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #6CCCCC=C(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3578.9Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #7CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C4080.9Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #7CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C3504.6Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #7CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C3667.1Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4097.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3566.7Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #8CCCCC=C(/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3650.0Standard polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C4075.0Semi standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C3502.2Standard non polar33892256
6,15-Diketo,13,14-dihydro-PGF1a,4TBDMS,isomer #9CCCCC=C(/C=C/[C@@H]1[C@@H](C=C(CCCCC(=O)O[Si](C)(C)C(C)(C)C)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)C3651.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a GC-MS (Non-derivatized) - 70eV, Positivesplash10-0g4r-3976000000-5bc2fe04581b9244d5b12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a GC-MS (3 TMS) - 70eV, Positivesplash10-01b9-3543390000-25f79f833097c2d108772017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 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 - 6,15-Diketo,13,14-dihydro-PGF1a 10V, Positive-QTOFsplash10-0ue9-0019000000-8dca4677737c527f6a762016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 20V, Positive-QTOFsplash10-05ai-5279000000-1dac7223ee81fe387bed2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 40V, Positive-QTOFsplash10-059x-9341000000-25a9ad4937aaf25954d12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 10V, Negative-QTOFsplash10-014i-0019000000-4147d0867aae1ef5ae182016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 20V, Negative-QTOFsplash10-0aos-2297000000-13fed642b0d2cab3f6f62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 40V, Negative-QTOFsplash10-0a4i-9541000000-2003f43a0d54db7a4ba52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 10V, Positive-QTOFsplash10-0fsi-0029000000-aaf0f6611d057ef21a2e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 20V, Positive-QTOFsplash10-001i-9245000000-ac182ababaf86b60a84b2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 40V, Positive-QTOFsplash10-052f-9100000000-99e5e4b43a6bcead68982021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 10V, Negative-QTOFsplash10-015a-0019000000-3e129a5512a3b7a729d72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 20V, Negative-QTOFsplash10-103a-1395000000-170923c227f1323cc7f02021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6,15-Diketo,13,14-dihydro-PGF1a 40V, Negative-QTOFsplash10-0a6r-9510000000-0487a84aaa47985465002021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
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 IDFDB022777
KNApSAcK IDNot Available
Chemspider ID4446160
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283033
PDB IDNot Available
ChEBI ID72595
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. Rosenkranz B, Fischer C, Weimer KE, Frolich JC: Metabolism of prostacyclin and 6-keto-prostaglandin F1 alpha in man. J Biol Chem. 1980 Nov 10;255(21):10194-8. [PubMed:7000774 ]
  2. FitzGerald GA, Smith B, Pedersen AK, Brash AR: Increased prostacyclin biosynthesis in patients with severe atherosclerosis and platelet activation. N Engl J Med. 1984 Apr 26;310(17):1065-8. [PubMed:6231483 ]
  3. Kothapalli D, Flores-Stewart SA, Assoian RK: Antimitogenic effects of prostacyclin on the G1 phase cyclin-dependent kinases. Prostaglandins Other Lipid Mediat. 2005 Dec;78(1-4):3-13. Epub 2005 May 31. [PubMed:16303599 ]
  4. Ruan KH, Dogne JM: Implications of the molecular basis of prostacyclin biosynthesis and signaling in pharmaceutical designs. Curr Pharm Des. 2006;12(8):925-41. [PubMed:16533160 ]
  5. Nakayama T: Prostacyclin analogues: prevention of cardiovascular diseases. Cardiovasc Hematol Agents Med Chem. 2006 Oct;4(4):351-9. [PubMed:17073611 ]
  6. Fetalvero KM, Martin KA, Hwa J: Cardioprotective prostacyclin signaling in vascular smooth muscle. Prostaglandins Other Lipid Mediat. 2007 Jan;82(1-4):109-18. Epub 2006 Jul 7. [PubMed:17164138 ]