Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-07-25 00:01:48 UTC
Update Date2022-03-07 02:51:26 UTC
HMDB IDHMDB0012501
Secondary Accession Numbers
  • HMDB12501
Metabolite Identification
Common Name10,11-Dihydro-12R-hydroxy-leukotriene E4
Description10,11-dihydro-12R-hydroxy-leukotriene E4 is a metabolite through lipid oxidation of Leukotriene E4 (LTE4).Leukotriene E4 (LTE4) is a cysteinyl leukotriene. Cysteinyl leukotrienes (CysLTs) are a family of potent inflammatory mediators that appear to contribute to the pathophysiologic features of allergic rhinitis. Nasal blockage induced by CysLTs is mainly due to dilatation of nasal blood vessels, which can be induced by the nitric oxide produced through CysLT1 receptor activation. LTE4, activate contractile and inflammatory processes via specific interaction with putative seven transmembrane-spanning receptors that couple to G proteins and subsequent intracellular signaling pathways. LTE4 is metabolized from leukotriene C4 in a reaction catalyzed by gamma-glutamyl transpeptidase and a particulate dipeptidase from kidney. (PMID: 12607939 , 12432945 , 6311078 ). Leukotrienes 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?1582753061
Synonyms
ValueSource
(5S,6R,12R)-Dihydroxy-6-(S-cysteinyl)-(7E,9E,14Z)-eicosatrienoateHMDB
(5S,6R,12R)-Dihydroxy-6-(S-cysteinyl)-(7E,9E,14Z)-eicosatrienoic acidHMDB
5,12-Dihydroxy-6-cysteinyl-7,9,14-eicosatrienoateHMDB
5,12-Dihydroxy-6-cysteinyl-7,9,14-eicosatrienoic acidHMDB
5S,12R-Dihydroxy-6-S-cysteinyl-7E,9E,14Z-eicosatrienoateHMDB
5S,12R-Dihydroxy-6-S-cysteinyl-7E,9E,14Z-eicosatrienoic acidHMDB
e-LTB(,3)HMDB
ELTB3HMDB
epsilon-LTB(,3)HMDB
Chemical FormulaC23H39NO6S
Average Molecular Weight457.624
Monoisotopic Molecular Weight457.249808675
IUPAC Name(5S,6R,7E,9E,12S,14Z)-6-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoic acid
Traditional Name(5S,6R,7E,9E,12S,14Z)-6-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoic acid
CAS Registry NumberNot Available
SMILES
CCCCC\C=C/C[C@H](O)C\C=C\C=C\[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O
InChI Identifier
InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20-,21+/m0/s1
InChI KeyFZJOTYMARNGISF-YXSOTRFDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three CC double bonds.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentHydroxyeicosatrienoic acids
Alternative Parents
Substituents
  • Hydroxyeicosatrienoic acid
  • Long-chain fatty acid
  • Cysteine or derivatives
  • S-alkyl-l-cysteine
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • D-alpha-amino acid
  • Hydroxy fatty acid
  • Thia fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Unsaturated fatty acid
  • Amino acid or derivatives
  • Amino acid
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Carbonyl group
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
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
Water Solubility0.0073 g/LALOGPS
logP0.45ALOGPS
logP1ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)2.35ChemAxon
pKa (Strongest Basic)9.13ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.08 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity128.17 m³·mol⁻¹ChemAxon
Polarizability53.02 ųChemAxon
Number of Rings0ChemAxon
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]+217.63131661259
DarkChem[M-H]-208.87831661259
DeepCCS[M+H]+216.10130932474
DeepCCS[M-H]-213.70530932474
DeepCCS[M-2H]-246.5930932474
DeepCCS[M+Na]+222.01330932474
AllCCS[M+H]+219.732859911
AllCCS[M+H-H2O]+217.832859911
AllCCS[M+NH4]+221.432859911
AllCCS[M+Na]+221.932859911
AllCCS[M-H]-214.032859911
AllCCS[M+Na-2H]-216.932859911
AllCCS[M+HCOO]-220.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
10,11-Dihydro-12R-hydroxy-leukotriene E4CCCCC\C=C/C[C@H](O)C\C=C\C=C\[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O6036.1Standard polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4CCCCC\C=C/C[C@H](O)C\C=C\C=C\[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O3356.9Standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4CCCCC\C=C/C[C@H](O)C\C=C\C=C\[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O3782.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C3874.6Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TMS,isomer #2CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O3758.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TMS,isomer #3CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C3843.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TMS,isomer #4CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C3817.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TMS,isomer #5CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O3884.9Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C3781.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #10CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C3849.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #11CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O4003.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3848.0Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3819.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C3903.5Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #5CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C3763.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #6CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C3729.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #7CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O3807.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #8CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3802.4Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TMS,isomer #9CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C3880.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3768.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #10CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C3752.9Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #11CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O3917.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #12CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3836.8Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #13CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C3966.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #14CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C3917.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3720.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C3805.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3788.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #5CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3892.5Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #6CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3844.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #7CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C3967.9Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #8CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3710.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TMS,isomer #9CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C3801.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3705.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #10CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C3825.8Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #11CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3894.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3792.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3751.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C3885.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #5CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3814.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #6CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3944.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #7CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3890.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #8CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3746.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,4TMS,isomer #9CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C3887.4Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3735.5Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3438.9Standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3943.8Standard polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3856.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3522.8Standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C4105.3Standard polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3796.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3574.6Standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4167.3Standard polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3854.5Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3535.8Standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4120.0Standard polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #5CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3800.4Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #5CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3568.5Standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,5TMS,isomer #5CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4234.6Standard polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,6TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3782.0Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,6TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3538.5Standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,6TMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3792.3Standard polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TBDMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C(C)(C)C4116.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TBDMS,isomer #2CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O4018.4Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TBDMS,isomer #3CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C4091.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TBDMS,isomer #4CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C4077.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,1TBDMS,isomer #5CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4109.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C(C)(C)C4258.4Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #10CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C4305.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #11CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O4413.2Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4329.0Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4308.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C(C)(C)C4334.6Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #5CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C4259.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #6CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C4231.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #7CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O4269.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #8CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4300.8Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,2TBDMS,isomer #9CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C4324.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #1CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4475.0Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #10CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C4437.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #11CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O4613.6Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #12CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4505.6Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #13CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C4657.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #14CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C4629.3Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #2CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4445.9Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #3CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C(C)(C)C4460.5Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #4CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4519.9Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #5CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4536.6Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #6CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4501.1Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #7CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@@H](SC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O)O[Si](C)(C)C(C)(C)C4647.7Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #8CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4450.0Semi standard non polar33892256
10,11-Dihydro-12R-hydroxy-leukotriene E4,3TBDMS,isomer #9CCCCC/C=C\C[C@H](O)C/C=C/C=C/[C@@H](SC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C4475.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-8609600000-829d3a3140784324f4e82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 GC-MS (3 TMS) - 70eV, Positivesplash10-0bu3-9321628000-159928b6a9d6ef3244902017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 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 - 10,11-Dihydro-12R-hydroxy-leukotriene E4 10V, Positive-QTOFsplash10-006x-1003900000-3662f1010244672e3b0d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 20V, Positive-QTOFsplash10-06xx-2449500000-9e3bab4974cbb68b1ef42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 40V, Positive-QTOFsplash10-006x-7129000000-bb7a104823dfe693df552017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 10V, Negative-QTOFsplash10-0abi-0204900000-3873c5cb609a5c92b2ca2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 20V, Negative-QTOFsplash10-0uk9-1219100000-f64640a3f32d659df5a12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 40V, Negative-QTOFsplash10-000i-9301000000-1a8d02aa6c0936d575b12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 10V, Positive-QTOFsplash10-014u-0009300000-5f1852cceac578ae2b712021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 20V, Positive-QTOFsplash10-1073-0609400000-2b6ae005036dfd1d8ba92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 40V, Positive-QTOFsplash10-0600-7900000000-d66f8b1f13d6631234802021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 10V, Negative-QTOFsplash10-0a4i-0004900000-d664c358a8b07fe600602021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 20V, Negative-QTOFsplash10-0udi-0119000000-c98f054e01ef9ea80db82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10,11-Dihydro-12R-hydroxy-leukotriene E4 40V, Negative-QTOFsplash10-0udi-7179000000-e0eeee14447a77232cf62021-09-22Wishart 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 IDFDB029103
KNApSAcK IDNot Available
Chemspider ID30776621
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481446
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. Mizutani N: [Studies on the experimental allergic rhinitis induced by Japanese cedar pollen--role of cysteinyl leukotrienes in nasal allergic symptoms]. Yakugaku Zasshi. 2003 Jan;123(1):1-8. [PubMed:12607939 ]
  2. Evans JF: Cysteinyl leukotriene receptors. Prostaglandins Other Lipid Mediat. 2002 Aug;68-69:587-97. [PubMed:12432945 ]
  3. Hammarstrom S: Leukotrienes. Annu Rev Biochem. 1983;52:355-77. [PubMed:6311078 ]
  4. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  5. 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 ]
  6. 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 ]
  7. 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 ]
  8. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.