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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:42:23 UTC
Update Date2022-03-07 03:17:57 UTC
HMDB IDHMDB0062618
Secondary Accession Numbers
  • HMDB62618
Metabolite Identification
Common Name2,3-dinor-6-oxoprostaglandin F1alpha
Description2,3-dinor-6-oxoprostaglandin F1alpha is also known as 2,3-Dinor-6-keto-PGF1alpha or 2,3-DKPGF1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is considered to be practically insoluble (in water) and acidic. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized from prostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized into 19-hydroxy-2,3-dinor-6-oxoprostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is an eicosanoid lipid molecule
Structure
Data?1563866337
Synonyms
ValueSource
2,3-Dinor, 6-keto-PGF1alphaChEBI
2,3-Dinor-6-keto-PGF1alphaChEBI
2,3-Dinor-6-ketoprostaglandin F1alphaChEBI
2,3-Dinor-6-oxo-PGF1alphaChEBI
2,3-Dinor-6-oxo-prostaglandin F1alphaChEBI
2,3-DKPGF1alphaChEBI
Pgi2-mChEBI
2,3-Dinor, 6-keto-PGF1aGenerator
2,3-Dinor, 6-keto-PGF1αGenerator
2,3-Dinor-6-keto-PGF1aGenerator
2,3-Dinor-6-keto-PGF1αGenerator
2,3-Dinor-6-ketoprostaglandin F1aGenerator
2,3-Dinor-6-ketoprostaglandin F1αGenerator
2,3-Dinor-6-oxo-PGF1aGenerator
2,3-Dinor-6-oxo-PGF1αGenerator
2,3-Dinor-6-oxo-prostaglandin F1aGenerator
2,3-Dinor-6-oxo-prostaglandin F1αGenerator
2,3-DKPGF1aGenerator
2,3-DKPGF1ΑGenerator
2,3-Dinor-6-oxoprostaglandin F1aGenerator
2,3-Dinor-6-oxoprostaglandin F1αGenerator
Chemical FormulaC18H30O6
Average Molecular Weight342.432
Monoisotopic Molecular Weight342.204238686
IUPAC Name5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-4-oxopentanoic acid
Traditional Name2,3-dinor, 6-keto-PGF1α
CAS Registry Number64700-71-6
SMILES
[H]\C(=C(\[H])[C@@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])CC(=O)CCC(O)=O)[C@@]([H])(O)CCCCC
InChI Identifier
InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
InChI KeyDNKGWNLXBRCUCF-NLOSNHEGSA-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
  • Fatty alcohol
  • Medium-chain keto acid
  • Gamma-keto acid
  • Cyclopentanol
  • Keto acid
  • Cyclic alcohol
  • Secondary alcohol
  • Ketone
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.91 g/lALOGPS
LogP1.10ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.1ALOGPS
logP0.9ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)4.26ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area115.06 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity90.79 m³·mol⁻¹ChemAxon
Polarizability37.81 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]+183.8331661259
DarkChem[M-H]-186.79531661259
DeepCCS[M+H]+186.41930932474
DeepCCS[M-H]-184.59430932474
DeepCCS[M-2H]-218.20730932474
DeepCCS[M+Na]+192.02530932474
AllCCS[M+H]+187.832859911
AllCCS[M+H-H2O]+185.132859911
AllCCS[M+NH4]+190.332859911
AllCCS[M+Na]+191.132859911
AllCCS[M-H]-186.532859911
AllCCS[M+Na-2H]-187.432859911
AllCCS[M+HCOO]-188.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2,3-dinor-6-oxoprostaglandin F1alpha[H]\C(=C(\[H])[C@@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])CC(=O)CCC(O)=O)[C@@]([H])(O)CCCCC4558.9Standard polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha[H]\C(=C(\[H])[C@@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])CC(=O)CCC(O)=O)[C@@]([H])(O)CCCCC2680.8Standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha[H]\C(=C(\[H])[C@@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])CC(=O)CCC(O)=O)[C@@]([H])(O)CCCCC2809.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2,3-dinor-6-oxoprostaglandin F1alpha,1TMS,isomer #1CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O2715.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TMS,isomer #2CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCC(=O)O2684.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C2765.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O)O[Si](C)(C)C2817.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C2843.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TMS,isomer #6CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O2860.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O)O[Si](C)(C)C2724.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #10CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2793.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #11CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2812.0Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #12CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O2821.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #13CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2850.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #14CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C2868.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #2CCCCC[C@H](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)CCC(=O)O2667.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C2712.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #4CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C2790.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #5CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C2806.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #6CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCC(=O)O)O[Si](C)(C)C2712.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C2685.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #8CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C2769.9Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TMS,isomer #9CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O2788.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCC(=O)O)O[Si](C)(C)C2680.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #10CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2692.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #11CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2770.5Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #12CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C2792.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #13CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2749.5Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #14CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O2755.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #15CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2819.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #16CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C2833.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2708.0Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2762.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #4CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2797.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #5CCCCC[C@H](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)CCC(=O)O[Si](C)(C)C2662.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #6CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C2747.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #7CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C2762.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #8CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2761.9Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TMS,isomer #9CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C2776.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2680.9Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2728.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #3CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C2768.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2759.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #5CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C2778.0Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #6CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2714.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #7CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C2728.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #8CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2756.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TMS,isomer #9CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C2757.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,5TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2754.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,5TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2640.1Standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,5TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2830.9Standard polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,5TMS,isomer #2CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C2764.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,5TMS,isomer #2CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C2622.1Standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,5TMS,isomer #2CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C2862.7Standard polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TBDMS,isomer #1CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O2947.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TBDMS,isomer #2CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCC(=O)O2916.0Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TBDMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C3027.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O)O[Si](C)(C)C(C)(C)C3081.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TBDMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C(C)(C)C3102.5Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,1TBDMS,isomer #6CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O3097.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O)O[Si](C)(C)C(C)(C)C3226.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #10CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3320.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #11CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3313.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #12CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O3290.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #13CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3351.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #14CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C3345.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #2CCCCC[C@H](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)CCC(=O)O3126.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C3193.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #4CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C(C)(C)C3250.5Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #5CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C3235.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #6CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCC(=O)O)O[Si](C)(C)C(C)(C)C3196.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C3168.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #8CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C(C)(C)C3229.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,2TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O3223.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #1CCCCC[C@@H](/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)CCC(=O)O)O[Si](C)(C)C(C)(C)C3413.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #10CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3450.9Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #11CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3491.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #12CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3465.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #13CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3459.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #14CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=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]1O3433.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #15CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3570.9Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #16CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3555.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3469.4Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3500.0Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3474.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #5CCCCC[C@H](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)CCC(=O)O[Si](C)(C)C(C)(C)C3380.5Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #6CCCCC[C@H](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(=CCC(=O)O)O[Si](C)(C)C(C)(C)C3428.1Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #7CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3410.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #8CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3475.0Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,3TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3451.9Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #1CCCCC[C@@H](/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)CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3625.8Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #2CCCCC[C@@H](/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(=CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3685.9Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3639.5Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3697.3Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #5CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3672.7Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #6CCCCC[C@H](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(=CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3653.5Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #7CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3625.6Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #8CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3694.2Semi standard non polar33892256
2,3-dinor-6-oxoprostaglandin F1alpha,4TBDMS,isomer #9CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C=C(CCC(=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)C3661.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dm-6594000000-41a7205789aa973de7572017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha GC-MS (4 TMS) - 70eV, Positivesplash10-01b9-7710379000-7f485884d3fc17644c852017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 10V, Positive-QTOFsplash10-0a6r-0019000000-bf6eaaba4d87121e4b892017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 20V, Positive-QTOFsplash10-0a6r-3095000000-c7de1d92fc3ea906ae432017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 40V, Positive-QTOFsplash10-05fr-9330000000-f3277e43a684519379782017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 10V, Negative-QTOFsplash10-006x-0019000000-4a65bf92732afcf9f5762017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 20V, Negative-QTOFsplash10-0adi-4196000000-c532f2d99cae85ce56432017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 40V, Negative-QTOFsplash10-0a4i-9440000000-93e3f752ec21ac2d2fa92017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 10V, Positive-QTOFsplash10-05bf-0059000000-affacef8114fc1266f462021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 20V, Positive-QTOFsplash10-0adi-4292000000-c9601dda3d6fa6629e282021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 40V, Positive-QTOFsplash10-0a4m-9310000000-4d043f8f000edb9ee8f82021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 10V, Negative-QTOFsplash10-05fu-0039000000-a013c1128361c31055f82021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 20V, Negative-QTOFsplash10-05di-1092000000-51679c465adecb478f702021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-dinor-6-oxoprostaglandin F1alpha 40V, Negative-QTOFsplash10-052b-9210000000-6f61fd49bfb98e2bf74c2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283084
PDB IDNot Available
ChEBI ID73944
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.