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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-07-25 00:12:26 UTC
Update Date2021-09-14 15:47:06 UTC
HMDB IDHMDB0013056
Secondary Accession Numbers
  • HMDB13056
Metabolite Identification
Common NameS-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione
DescriptionS-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione.
Structure
Data?1582753087
Synonyms
ValueSource
S-(11-OH-9-Deoxy-δ9,12-PGD2)-glutathioneGenerator
(5Z)-7-[(1S,2E)-5-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulfanyl}-3-hydroxy-2-[(3S)-3-hydroxyoctylidene]cyclopentyl]hept-5-enoateGenerator
(5Z)-7-[(1S,2E)-5-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-3-hydroxy-2-[(3S)-3-hydroxyoctylidene]cyclopentyl]hept-5-enoateGenerator
(5Z)-7-[(1S,2E)-5-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-3-hydroxy-2-[(3S)-3-hydroxyoctylidene]cyclopentyl]hept-5-enoic acidGenerator
S-(11-Hydroxy-9-deoxy-δ9,12-PGD2)-glutathioneGenerator
Chemical FormulaC30H49N3O10S
Average Molecular Weight643.789
Monoisotopic Molecular Weight643.313865493
IUPAC Name(5Z)-7-[(1S,2E)-5-{[(2R)-2-[(4R)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-3-hydroxy-2-[(3S)-3-hydroxyoctylidene]cyclopentyl]hept-5-enoic acid
Traditional Name(5Z)-7-[(1S,2E)-5-{[(2R)-2-[(4R)-4-amino-4-carboxybutanamido]-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-3-hydroxy-2-[(3S)-3-hydroxyoctylidene]cyclopentyl]hept-5-enoic acid
CAS Registry NumberNot Available
SMILES
CCCCC[C@H](O)C\C=C1\C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C\C=C/CCCC(O)=O
InChI Identifier
InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-25,34-35H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,20-13+/t19-,21-,22+,23-,24?,25?/m0/s1
InChI KeyQZWLKAYYUQXKSI-KBQILROESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Glutamine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • D-alpha-amino acid
  • Tricarboxylic acid or derivatives
  • N-acyl-amine
  • Fatty acyl
  • Fatty amide
  • Cyclopentanol
  • Cyclic alcohol
  • Secondary alcohol
  • Amino acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Dialkylthioether
  • Carboxylic acid
  • Sulfenyl compound
  • Thioether
  • Primary amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organosulfur compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.017 g/LALOGPS
logP-1.5ALOGPS
logP-1.7ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)1.81ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area236.58 ŲChemAxon
Rotatable Bond Count23ChemAxon
Refractivity165.88 m³·mol⁻¹ChemAxon
Polarizability69.1 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+247.89131661259
DarkChem[M-H]-237.59631661259
DeepCCS[M+H]+253.57830932474
DeepCCS[M-H]-251.75330932474
DeepCCS[M-2H]-284.99630932474
DeepCCS[M+Na]+259.18430932474
AllCCS[M+H]+253.832859911
AllCCS[M+H-H2O]+253.032859911
AllCCS[M+NH4]+254.432859911
AllCCS[M+Na]+254.632859911
AllCCS[M-H]-245.132859911
AllCCS[M+Na-2H]-249.032859911
AllCCS[M+HCOO]-253.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathioneCCCCC[C@H](O)C\C=C1\C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C\C=C/CCCC(O)=O6453.2Standard polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathioneCCCCC[C@H](O)C\C=C1\C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C\C=C/CCCC(O)=O3743.0Standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathioneCCCCC[C@H](O)C\C=C1\C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C\C=C/CCCC(O)=O5281.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #1CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5261.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #2CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5133.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #3CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5119.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #4CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5197.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #5CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5206.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #6CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5330.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #7CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5126.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TMS,isomer #8CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5123.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #1CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5009.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #10CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4965.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #11CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5118.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #12CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4934.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #13CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4948.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #14CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4970.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #15CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4978.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #16CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5128.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #17CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4911.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #18CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4925.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #19CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5021.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #2CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5022.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #20CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5167.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #21CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4944.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #22CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4978.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #23CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5168.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #24CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4958.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #25CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4970.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #26CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5099.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #27CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5317.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #28CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5110.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #29CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4928.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #3CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5066.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #4CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5070.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #5CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5224.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #6CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5017.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #7CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5019.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #8CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O4921.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TMS,isomer #9CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4955.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #1CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4839.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #10CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4863.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #11CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4874.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #12CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4902.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #13CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5095.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #14CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4877.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #15CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4891.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #16CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5093.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #17CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4874.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #18CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4883.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #19CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5040.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #2CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4854.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #20CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5170.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #21CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5047.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #22CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4892.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #23CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4804.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #24CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4793.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #25CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O4977.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #26CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4765.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #27CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4791.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #28CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4819.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #29CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5000.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #3CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4849.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #30CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4780.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #31CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4810.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #32CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5005.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #33CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4780.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #34CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4803.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #35CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4964.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #36CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5080.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #37CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4980.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #38CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C)CC(SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4822.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #39CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4845.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #4CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5047.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #40CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5024.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #41CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4798.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #42CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4825.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #43CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5025.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #44CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4796.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #45CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4819.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #46CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4966.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #47CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5135.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #48CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4981.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #49CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4835.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #5CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4855.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #50CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5055.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #51CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4815.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #52CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4840.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #53CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4985.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #54CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5126.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #55CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5006.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #56CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4863.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #57CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4991.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #58CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5125.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #59CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C5004.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #6CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4868.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #60CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C4850.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #61CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O4975.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #62CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5106.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #63CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O5117.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #7CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C4889.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #8CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4885.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,3TMS,isomer #9CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C5066.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #1CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C5431.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #2CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5340.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #3CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5345.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #4CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5448.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #5CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C5449.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #6CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5545.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #7CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5359.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,1TBDMS,isomer #8CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5370.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #1CCCCC[C@@H](C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C5351.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #10CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C5368.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #11CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5501.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #12CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5353.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #13CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5371.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #14CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5419.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #15CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C5417.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #16CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5533.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #17CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5361.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #18CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5376.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #19CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C5483.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #2CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C5405.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #20CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5618.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #21CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5414.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #22CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5429.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #23CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C5609.7Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #24CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C5413.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #25CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C5430.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #26CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5538.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #27CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5731.4Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #28CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5546.8Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #29CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5380.9Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #3CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C5484.2Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #4CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5476.0Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #5CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C5605.6Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #6CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C5417.3Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #7CCCCC[C@@H](C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C5432.1Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #8CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O5327.5Semi standard non polar33892256
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione,2TBDMS,isomer #9CCCCC[C@H](O)C/C=C1/C(O[Si](C)(C)C(C)(C)C)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCC(=O)O5377.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (Non-derivatized) - 70eV, Positivesplash10-002g-2201092000-0b698f83bfd3597bd6fb2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 10V, Positive-QTOFsplash10-0a7i-1001159000-005c4b4d6ed33f69e4952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 20V, Positive-QTOFsplash10-055b-5102593000-c5d3ef69d1769cdae83d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 40V, Positive-QTOFsplash10-0r10-9403430000-590ea5f3cd194235abff2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 10V, Negative-QTOFsplash10-00dl-0016049000-31605942a98d0159721f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 20V, Negative-QTOFsplash10-0uxr-0009011000-6d3ed9a918c9051da8512017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 40V, Negative-QTOFsplash10-0fdn-4903000000-65d484802dd4a113e9b12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 10V, Negative-QTOFsplash10-00dl-0010096000-19bffa302ee12b6c92722021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 20V, Negative-QTOFsplash10-006x-2930132000-36c40d32b0e80341cc522021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 40V, Negative-QTOFsplash10-0006-9600100000-19d3d256b5610859d2162021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 10V, Positive-QTOFsplash10-0a6r-0005119000-df3752d50e03d3368dd02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 20V, Positive-QTOFsplash10-016s-5129865000-20cd8cd4b8f2eb25928b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione 40V, Positive-QTOFsplash10-001i-9200210000-165ac80ca1bd16bbbde72021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB029271
KNApSAcK IDNot Available
Chemspider ID35032566
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481596
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. Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]