Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-14 00:27:57 UTC
Update Date2022-03-07 02:49:21 UTC
HMDB IDHMDB0004686
Secondary Accession Numbers
  • HMDB04686
Metabolite Identification
Common Name8-Isoprostaglandin E1
Description8-Isoprostaglandin E1 is an isoprostane. The isoprostanes embody a vast family of novel prostaglandin-like lipids that are produced by nonenzymatic peroxidation of arachidonic acid (AA) in response to free radicals and reactive oxygen species. Although free AA is required for the formation of prostaglandins by cyclooxygenases, the isoprostanes can be generated nonenzymatically from esterified AA in membrane phospholipids before being released by a phospholipase(s). Another dissimilarity is that isoprostanes feature side chains that are almost exclusively orientated cis relative to the cyclopentane ring and are therefore distinct from the prostaglandins, which always have side chains in the trans configuration. Nevertheless, isoprostanes are isomeric with prostaglandins and have been given the prefix D-, E-, and F{alpha}- to denote the prostane ring shared with PGD2, PGE2, and PGF2{alpha} respectively. An additional level of complexity is that peroxidation of AA can occur at one of any of four carbon atoms producing regioisomers, the so-called 5-, 12-, 8-, and 15-series isoprostanes, each consisting of eight racemic diastereomers. Thus, a total of 64 isomers can be generated for each of the D-, E-, and F{alpha}-ring isoprostanes. (PMID: 15528403 )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?1582752312
Synonyms
ValueSource
11a,15-(S)-Dihydroxy-9-oxo-13-trans-8-isoprostenoateHMDB
11a,15-(S)-Dihydroxy-9-oxo-13-trans-8-isoprostenoic acidHMDB
8-iso-PGE1HMDB
Isoprostaglandin e1HMDB, MeSH
Ovinonic acidHMDB
iso-PGE1MeSH, HMDB
Isoprostaglandin e1, (8beta,11alpha,12alpha,13E,15S)-isomerMeSH, HMDB
Isoprostaglandin e1, (8beta,11beta,12alpha,13E,15R)-isomerMeSH, HMDB
Isoprostaglandin e1, (8beta,11beta,12alpha,13E,15S)-isomerMeSH, HMDB
Chemical FormulaC20H34O5
Average Molecular Weight354.481
Monoisotopic Molecular Weight354.240624198
IUPAC Name7-[(1S,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
Traditional Nameiso-PGE1
CAS Registry Number21003-46-3
SMILES
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O
InChI Identifier
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,19+/m0/s1
InChI KeyGMVPRGQOIOIIMI-JCPCGATGSA-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 alcohol
  • Hydroxy fatty acid
  • Cyclopentanol
  • Cyclic alcohol
  • Cyclic ketone
  • Ketone
  • Secondary alcohol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Organooxygen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Not AvailableNot 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 Solubility0.079 g/LALOGPS
logP3.04ALOGPS
logP3.59ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity98.32 m³·mol⁻¹ChemAxon
Polarizability41.51 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]+186.8231661259
DarkChem[M-H]-188.63831661259
DeepCCS[M+H]+200.40130932474
DeepCCS[M-H]-197.95630932474
DeepCCS[M-2H]-232.33430932474
DeepCCS[M+Na]+207.56230932474
AllCCS[M+H]+194.132859911
AllCCS[M+H-H2O]+191.532859911
AllCCS[M+NH4]+196.632859911
AllCCS[M+Na]+197.232859911
AllCCS[M-H]-192.332859911
AllCCS[M+Na-2H]-193.632859911
AllCCS[M+HCOO]-195.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
8-Isoprostaglandin E1CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O4341.1Standard polar33892256
8-Isoprostaglandin E1CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O2723.6Standard non polar33892256
8-Isoprostaglandin E1CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O2845.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
8-Isoprostaglandin E1,1TMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O)O[Si](C)(C)C2820.8Semi standard non polar33892256
8-Isoprostaglandin E1,1TMS,isomer #2CCCCC[C@H](O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O[Si](C)(C)C2745.3Semi standard non polar33892256
8-Isoprostaglandin E1,1TMS,isomer #3CCCCC[C@H](O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C)C(=O)C[C@H]1O2785.3Semi standard non polar33892256
8-Isoprostaglandin E1,1TMS,isomer #4CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(O[Si](C)(C)C)C[C@H]1O2835.5Semi standard non polar33892256
8-Isoprostaglandin E1,1TMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O2729.3Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C)C(=O)C[C@H]1O)O[Si](C)(C)C2811.4Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #2CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2748.5Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #3CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C2870.3Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O)O[Si](C)(C)C2754.3Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #5CCCCC[C@H](O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C)C(=O)C[C@H]1O[Si](C)(C)C2732.4Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #6CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C2824.5Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O2769.5Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #8CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O2824.3Semi standard non polar33892256
8-Isoprostaglandin E1,2TMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C2746.1Semi standard non polar33892256
8-Isoprostaglandin E1,3TMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C)C(=O)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2737.7Semi standard non polar33892256
8-Isoprostaglandin E1,3TMS,isomer #2CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O)O[Si](C)(C)C2848.8Semi standard non polar33892256
8-Isoprostaglandin E1,3TMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2766.0Semi standard non polar33892256
8-Isoprostaglandin E1,3TMS,isomer #4CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2808.2Semi standard non polar33892256
8-Isoprostaglandin E1,3TMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O)O[Si](C)(C)C2790.2Semi standard non polar33892256
8-Isoprostaglandin E1,3TMS,isomer #6CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C2795.7Semi standard non polar33892256
8-Isoprostaglandin E1,3TMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C2785.2Semi standard non polar33892256
8-Isoprostaglandin E1,4TMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2819.7Semi standard non polar33892256
8-Isoprostaglandin E1,4TMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2893.6Standard non polar33892256
8-Isoprostaglandin E1,4TMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C2916.2Standard polar33892256
8-Isoprostaglandin E1,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2815.5Semi standard non polar33892256
8-Isoprostaglandin E1,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2731.3Standard non polar33892256
8-Isoprostaglandin E1,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C=C(O[Si](C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3001.4Standard polar33892256
8-Isoprostaglandin E1,1TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O)O[Si](C)(C)C(C)(C)C3076.9Semi standard non polar33892256
8-Isoprostaglandin E1,1TBDMS,isomer #2CCCCC[C@H](O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C2957.6Semi standard non polar33892256
8-Isoprostaglandin E1,1TBDMS,isomer #3CCCCC[C@H](O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C[C@H]1O3049.9Semi standard non polar33892256
8-Isoprostaglandin E1,1TBDMS,isomer #4CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C[C@H]1O3067.4Semi standard non polar33892256
8-Isoprostaglandin E1,1TBDMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O2964.6Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C[C@H]1O)O[Si](C)(C)C(C)(C)C3328.6Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3212.0Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C[C@H]1O)O[Si](C)(C)C(C)(C)C3317.9Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3216.0Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #5CCCCC[C@H](O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C3192.3Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #6CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C3251.4Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O3216.8Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #8CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@H]1O3288.2Semi standard non polar33892256
8-Isoprostaglandin E1,2TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3216.9Semi standard non polar33892256
8-Isoprostaglandin E1,3TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1[C@H](CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3470.1Semi standard non polar33892256
8-Isoprostaglandin E1,3TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@H]1O)O[Si](C)(C)C(C)(C)C3559.5Semi standard non polar33892256
8-Isoprostaglandin E1,3TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3486.2Semi standard non polar33892256
8-Isoprostaglandin E1,3TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O)=C(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)C3487.4Semi standard non polar33892256
8-Isoprostaglandin E1,3TBDMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3477.4Semi standard non polar33892256
8-Isoprostaglandin E1,3TBDMS,isomer #6CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C3464.7Semi standard non polar33892256
8-Isoprostaglandin E1,3TBDMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3469.8Semi standard non polar33892256
8-Isoprostaglandin E1,4TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)=C(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)C3683.6Semi standard non polar33892256
8-Isoprostaglandin E1,4TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)=C(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)C3480.9Standard non polar33892256
8-Isoprostaglandin E1,4TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@@H]1C(CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)=C(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)C3243.3Standard polar33892256
8-Isoprostaglandin E1,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3692.6Semi standard non polar33892256
8-Isoprostaglandin E1,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3213.4Standard non polar33892256
8-Isoprostaglandin E1,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3276.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 8-Isoprostaglandin E1 GC-MS (Non-derivatized) - 70eV, Positivesplash10-03du-8496000000-7d3b810081e27f50d55e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Isoprostaglandin E1 GC-MS (3 TMS) - 70eV, Positivesplash10-0a4i-5111690000-a4b76b0035fa00f6c1912017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Isoprostaglandin E1 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 - 8-Isoprostaglandin E1 10V, Positive-QTOFsplash10-00kr-0019000000-f5b5a1445394c1875ab52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 20V, Positive-QTOFsplash10-014u-3298000000-914d4dd2398f2330aadc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 40V, Positive-QTOFsplash10-00kr-9210000000-cae0b0e2e44b318ffc152017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 10V, Negative-QTOFsplash10-0udr-0009000000-2ae4bda00bf8a87d2cc82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 20V, Negative-QTOFsplash10-0f79-2149000000-253cbdfcc6971a59bcbe2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 40V, Negative-QTOFsplash10-0a4i-9430000000-d886399479c4a7f3bafd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 10V, Negative-QTOFsplash10-0fri-0009000000-923c8a53409a3df92c032021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 20V, Negative-QTOFsplash10-000i-0069000000-1771266ae55287330e242021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 40V, Negative-QTOFsplash10-001v-9481000000-4f3fb6bba04c2db22a672021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 10V, Positive-QTOFsplash10-014i-0009000000-48b67d3860a0408d60172021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 20V, Positive-QTOFsplash10-014i-7369000000-67c0756e11758bfc63bd2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Isoprostaglandin E1 40V, Positive-QTOFsplash10-05mo-9600000000-b116946f56f764ec762e2021-09-25Wishart 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 IDFDB023405
KNApSAcK IDNot Available
Chemspider ID4446333
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283212
PDB IDNot Available
ChEBI IDNot Available
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. Clarke DL, Belvisi MG, Hardaker E, Newton R, Giembycz MA: E-ring 8-isoprostanes are agonists at EP2- and EP4-prostanoid receptors on human airway smooth muscle cells and regulate the release of colony-stimulating factors by activating cAMP-dependent protein kinase. Mol Pharmacol. 2005 Feb;67(2):383-93. Epub 2004 Nov 4. [PubMed:15528403 ]