Hmdb loader
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2010-05-20 13:12:34 UTC
Update Date2022-03-07 02:51:34 UTC
HMDB IDHMDB0013629
Secondary Accession Numbers
  • HMDB13629
Metabolite Identification
Common NamePGD2 ethanolamide
DescriptionPGD2 ethanolamide is a N-acylethanolamine. N-acylethanolamines (NAEs) constitute a class of lipid compounds naturally present in both animal and plant membranes as constituents of the membrane-bound phospholipid, N-acylphosphatidylethanolamine (NAPE). NAPE is composed of a third fatty acid moiety linked to the amino head group of the commonly occurring membrane phospholipid, phosphatidylethanolamine. NAEs are released from NAPE by phospholipase D-type hydrolases in response to a variety of stimuli. Transient NAE release and accumulation has been attributed a variety of biological activities, including neurotransmission, membrane protection, and immunomodulation in animals. N-oleoylethanolamine is an inhibitor of the sphingolipid signaling pathway, via specific ceramidase inhibition (ceramidase converts ceramide to sphingosine). N-oleoylethanolamine blocks the effects of TNF- and arachidonic acid on intracellular Ca concentration. (PMID: 12692337 , 12056855 , 12560208 , 11997249 )
Structure
Data?1582753138
Synonyms
ValueSource
N-(9S,15S-Dihydroxy-11-oxo-5Z,13E-prostadienoyl)-ethanolamineChEBI
PGD(2) 1-EthanolamideChEBI
PGD2 EAChEBI
PGD2-EthanolamideChEBI
PMD2ChEBI
Prostaglandin D2-eaChEBI
Prostaglandin D2-ethanolamideChEBI
Prostamide D(2)ChEBI
Prostamide D2ChEBI
PGD2 EthanolamideChEBI
Prostaglandin D2 ethanolamideMeSH
Chemical FormulaC22H37NO5
Average Molecular Weight395.54
Monoisotopic Molecular Weight395.267173295
IUPAC Name(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide
Traditional NamePGD2-EA
CAS Registry Number398138-28-8
SMILES
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)NCCO)[C@@H](O)CC1=O
InChI Identifier
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1
InChI KeyKEYDJKSQFDUAGF-YIRKRNQHSA-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
  • N-acylethanolamine
  • Cyclopentanol
  • Fatty amide
  • N-acyl-amine
  • Cyclic alcohol
  • Carboxamide group
  • Ketone
  • Cyclic ketone
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Alkanolamine
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Carbonyl group
  • Alcohol
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
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
logP2.62ALOGPS
logP1.95ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)13.96ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area106.86 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity112.45 m³·mol⁻¹ChemAxon
Polarizability46.39 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
DeepCCS[M+H]+207.16830932474
DeepCCS[M-H]-204.77330932474
DeepCCS[M-2H]-237.65630932474
DeepCCS[M+Na]+213.08130932474
AllCCS[M+H]+203.132859911
AllCCS[M+H-H2O]+200.832859911
AllCCS[M+NH4]+205.232859911
AllCCS[M+Na]+205.832859911
AllCCS[M-H]-199.932859911
AllCCS[M+Na-2H]-201.732859911
AllCCS[M+HCOO]-203.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PGD2 ethanolamideCCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)NCCO)[C@@H](O)CC1=O4281.9Standard polar33892256
PGD2 ethanolamideCCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)NCCO)[C@@H](O)CC1=O3047.4Standard non polar33892256
PGD2 ethanolamideCCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)NCCO)[C@@H](O)CC1=O3417.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
PGD2 ethanolamide,1TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C3293.7Semi standard non polar33892256
PGD2 ethanolamide,1TMS,isomer #2CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C3255.1Semi standard non polar33892256
PGD2 ethanolamide,1TMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO3187.2Semi standard non polar33892256
PGD2 ethanolamide,1TMS,isomer #4CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO3281.6Semi standard non polar33892256
PGD2 ethanolamide,1TMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO3163.7Semi standard non polar33892256
PGD2 ethanolamide,1TMS,isomer #6CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C3209.7Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C3152.3Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #10CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO3247.7Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #11CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO3170.9Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #12CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C3103.3Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #13CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C3213.2Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #14CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C3094.4Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3218.3Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #3CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C3334.0Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C3182.1Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3181.7Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #6CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C3124.4Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #7CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C3255.9Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #8CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C3135.7Semi standard non polar33892256
PGD2 ethanolamide,2TMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3211.0Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3108.9Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #10CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C3191.6Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #11CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C3121.0Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #12CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3109.5Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #13CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3214.4Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #14CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3107.4Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #15CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C3153.0Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #16CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C3084.6Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #2CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C3242.9Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C3169.8Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3065.9Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #5CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3271.2Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #6CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3134.3Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3173.8Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #8CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3231.2Semi standard non polar33892256
PGD2 ethanolamide,3TMS,isomer #9CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3110.9Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3210.1Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3117.6Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3460.8Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3155.2Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C2986.9Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C)O[Si](C)(C)C3474.0Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3100.9Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3153.4Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3297.3Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3152.6Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3154.3Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3580.8Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3118.4Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3039.6Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C)O[Si](C)(C)C3592.9Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #6CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3214.0Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #6CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3196.3Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #6CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3582.3Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3144.2Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3087.1Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3682.9Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3157.1Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3203.6Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3722.9Standard polar33892256
PGD2 ethanolamide,4TMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3107.3Semi standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3069.6Standard non polar33892256
PGD2 ethanolamide,4TMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C3730.8Standard polar33892256
PGD2 ethanolamide,5TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3177.6Semi standard non polar33892256
PGD2 ethanolamide,5TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3161.9Standard non polar33892256
PGD2 ethanolamide,5TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3326.8Standard polar33892256
PGD2 ethanolamide,5TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3170.6Semi standard non polar33892256
PGD2 ethanolamide,5TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3017.7Standard non polar33892256
PGD2 ethanolamide,5TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3346.4Standard polar33892256
PGD2 ethanolamide,1TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C(C)(C)C3501.6Semi standard non polar33892256
PGD2 ethanolamide,1TBDMS,isomer #2CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C3477.9Semi standard non polar33892256
PGD2 ethanolamide,1TBDMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO3379.4Semi standard non polar33892256
PGD2 ethanolamide,1TBDMS,isomer #4CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO3504.2Semi standard non polar33892256
PGD2 ethanolamide,1TBDMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO3396.1Semi standard non polar33892256
PGD2 ethanolamide,1TBDMS,isomer #6CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C3446.2Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C(C)(C)C3592.2Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #10CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO3647.8Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #11CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO3616.4Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #12CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C3579.3Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #13CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C3692.0Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #14CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C3602.3Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3692.2Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #3CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C(C)(C)C3749.9Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C(C)(C)C3638.9Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3691.5Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #6CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C3571.1Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #7CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C3684.5Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #8CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C3596.3Semi standard non polar33892256
PGD2 ethanolamide,2TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3709.5Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3766.8Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #10CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C3824.0Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #11CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C3799.2Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #12CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3828.7Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #13CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3942.7Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #14CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3852.8Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #15CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C3854.2Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #16CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C3813.5Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #2CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C(C)(C)C3856.2Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO)O[Si](C)(C)C(C)(C)C3838.2Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3810.6Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #5CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3911.2Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #6CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3823.5Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3953.5Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #8CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3934.8Semi standard non polar33892256
PGD2 ethanolamide,3TBDMS,isomer #9CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3867.1Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3993.9Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3730.7Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3632.1Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3981.9Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3492.8Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)NCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3641.3Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4059.1Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3783.3Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3525.4Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4044.2Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3763.0Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3734.4Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4038.3Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3542.5Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3743.4Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #6CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4148.0Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #6CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3806.3Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #6CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3738.2Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4095.6Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3591.4Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #7CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3801.7Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4071.0Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3805.3Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3857.0Standard polar33892256
PGD2 ethanolamide,4TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4035.2Semi standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3562.5Standard non polar33892256
PGD2 ethanolamide,4TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C\CCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3857.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - PGD2 ethanolamide GC-MS (3 TMS) - 70eV, Positivesplash10-0002-3130190000-c98adc4cc60800c856532017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - PGD2 ethanolamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0h00-5279000000-5eb14096ad3b360a472a2017-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - PGD2 ethanolamide 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 - PGD2 ethanolamide 10V, Positive-QTOFsplash10-03fr-2019000000-16d195cb4cbc7758eaa32019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 20V, Positive-QTOFsplash10-03di-9025000000-7e78a31f93dbd6ab1f3a2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 40V, Positive-QTOFsplash10-03dr-9200000000-1cf7acf40156ea83c71a2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 10V, Negative-QTOFsplash10-002f-0009000000-ce9372e26368255c08b92019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 20V, Negative-QTOFsplash10-01tc-3019000000-77b774fc6c55d47c428d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 40V, Negative-QTOFsplash10-03dl-9111000000-17ab139ed99a626f3e4e2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 10V, Negative-QTOFsplash10-0a6u-0009000000-6bbb88fc1146d5a4bc4f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 20V, Negative-QTOFsplash10-056u-1039000000-1f60f5cbec673df8a9a82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 40V, Negative-QTOFsplash10-0k96-9255000000-a85fec96b38e8d31baee2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 10V, Positive-QTOFsplash10-03fr-1009000000-17b0b96d161840e106772021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 20V, Positive-QTOFsplash10-03di-8049000000-6491a35953eac60a1d962021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PGD2 ethanolamide 40V, Positive-QTOFsplash10-0006-9210000000-dfd73590a5669dcd54752021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.161 +/- 0.032 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 IDFDB029606
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283120
PDB IDNot Available
ChEBI ID85174
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. Hofmann U, Domeier E, Frantz S, Laser M, Weckler B, Kuhlencordt P, Heuer S, Keweloh B, Ertl G, Bonz AW: Increased myocardial oxygen consumption by TNF-alpha is mediated by a sphingosine signaling pathway. Am J Physiol Heart Circ Physiol. 2003 Jun;284(6):H2100-5. Epub 2003 Jan 30. [PubMed:12560208 ]
  2. Tripathy S, Kleppinger-Sparace K, Dixon RA, Chapman KD: N-acylethanolamine signaling in tobacco is mediated by a membrane-associated, high-affinity binding protein. Plant Physiol. 2003 Apr;131(4):1781-91. [PubMed:12692337 ]
  3. Lecour S, Smith RM, Woodward B, Opie LH, Rochette L, Sack MN: Identification of a novel role for sphingolipid signaling in TNF alpha and ischemic preconditioning mediated cardioprotection. J Mol Cell Cardiol. 2002 May;34(5):509-18. [PubMed:12056855 ]
  4. Amadou A, Nawrocki A, Best-Belpomme M, Pavoine C, Pecker F: Arachidonic acid mediates dual effect of TNF-alpha on Ca2+ transients and contraction of adult rat cardiomyocytes. Am J Physiol Cell Physiol. 2002 Jun;282(6):C1339-47. [PubMed:11997249 ]
  5. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  6. 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 ]
  7. 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 ]
  8. 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 ]
  9. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.