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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 02:10:49 UTC
Update Date2021-09-14 15:42:45 UTC
HMDB IDHMDB0062488
Secondary Accession Numbers
  • HMDB62488
Metabolite Identification
Common Nameleukotriene-f4
Description(5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated (5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid is a very strong basic compound (based on its pKa).
Structure
Data?1563866319
Synonyms
ValueSource
(5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoateGenerator
(5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoateGenerator
(5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acidGenerator
5(S)-Hydroxy-6(R)-S-gamma-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoic acidHMDB
Leukotriene F-4HMDB
LTF4HMDB
Chemical FormulaC28H44N2O8S
Average Molecular Weight568.73
Monoisotopic Molecular Weight568.281837559
IUPAC Name(5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Traditional Name(5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC[C@@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=O)[C@@]([H])(O)CCCC(O)=O
InChI Identifier
InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22+,23-,24+/m0/s1
InChI KeyPYSODLWHFWCFLV-AXEBJCQESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentLeukotrienes
Alternative Parents
Substituents
  • Leukotriene
  • Hydroxyeicosatetraenoic acid
  • Alpha-dipeptide
  • Gamma-glutamyl alpha-amino acid
  • Glutamine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Cysteine or derivatives
  • S-alkyl-l-cysteine
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Tricarboxylic acid or derivatives
  • Hydroxy fatty acid
  • Thia fatty acid
  • Fatty amide
  • N-acyl-amine
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Amino acid
  • Amino acid or derivatives
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Primary amine
  • Organosulfur compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.003 g/lALOGPS
LogP0.69ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP10(0.77) g/LALOGPS
logP10(1.96) g/LChemAxon
logS10(-5.3) g/LALOGPS
pKa (Strongest Acidic)1.79ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area190.74 ŲChemAxon
Rotatable Bond Count23ChemAxon
Refractivity156.23 m³·mol⁻¹ChemAxon
Polarizability62.88 ųChemAxon
Number of Rings0ChemAxon
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]+243.71931661259
DarkChem[M-H]-235.2931661259
DeepCCS[M+H]+229.48130932474
DeepCCS[M-H]-227.75730932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
leukotriene-f4[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC[C@@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=O)[C@@]([H])(O)CCCC(O)=O6396.3Standard polar33892256
leukotriene-f4[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC[C@@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=O)[C@@]([H])(O)CCCC(O)=O4031.5Standard non polar33892256
leukotriene-f4[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC[C@@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=O)[C@@]([H])(O)CCCC(O)=O4544.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
leukotriene-f4,1TMS,isomer #1CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4761.9Semi standard non polar33892256
leukotriene-f4,1TMS,isomer #2CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4685.4Semi standard non polar33892256
leukotriene-f4,1TMS,isomer #3CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4697.6Semi standard non polar33892256
leukotriene-f4,1TMS,isomer #4CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4777.5Semi standard non polar33892256
leukotriene-f4,1TMS,isomer #5CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4750.2Semi standard non polar33892256
leukotriene-f4,1TMS,isomer #6CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O4867.6Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #1CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4641.3Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #10CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4671.5Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #11CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4641.7Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #12CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4756.0Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #13CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4716.3Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #14CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4823.1Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #15CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4790.6Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #16CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4932.0Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #2CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4674.6Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #3CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4733.1Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #4CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4694.7Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #5CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4817.4Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #6CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4570.5Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #7CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4652.4Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #8CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4628.0Semi standard non polar33892256
leukotriene-f4,2TMS,isomer #9CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4744.4Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #1CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4542.3Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #10CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4738.5Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #11CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4862.9Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #12CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4559.9Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #13CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4511.6Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #14CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4633.9Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #15CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4606.5Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #16CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4714.4Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #17CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4674.7Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #18CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4829.9Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #19CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4634.5Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #2CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4619.6Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #20CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4733.1Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #21CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4691.3Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #22CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4808.3Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #23CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4764.5Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #24CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4887.7Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #25CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4838.1Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #3CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4566.2Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #4CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4694.8Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #5CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4655.3Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #6CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4599.6Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #7CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4724.9Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #8CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4682.3Semi standard non polar33892256
leukotriene-f4,3TMS,isomer #9CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4790.2Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #1CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4515.8Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #10CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4629.4Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #11CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4754.6Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #12CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4711.3Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #13CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4830.5Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #14CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4773.0Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #15CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4506.6Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #16CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4620.5Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #17CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4559.0Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #18CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4722.5Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #19CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4658.7Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #2CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4474.1Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #20CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4818.4Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #21CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4762.3Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #22CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4671.2Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #23CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4788.9Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #24CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C4728.4Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #25CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4824.8Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #3CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O4587.5Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #4CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4540.9Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #5CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C4667.5Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #6CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C4606.3Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #7CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4769.9Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #8CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4560.0Semi standard non polar33892256
leukotriene-f4,4TMS,isomer #9CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C4688.0Semi standard non polar33892256
leukotriene-f4,1TBDMS,isomer #1CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4997.7Semi standard non polar33892256
leukotriene-f4,1TBDMS,isomer #2CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O4944.0Semi standard non polar33892256
leukotriene-f4,1TBDMS,isomer #3CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O4946.6Semi standard non polar33892256
leukotriene-f4,1TBDMS,isomer #4CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5016.8Semi standard non polar33892256
leukotriene-f4,1TBDMS,isomer #5CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5012.0Semi standard non polar33892256
leukotriene-f4,1TBDMS,isomer #6CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O5063.1Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #1CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O5097.3Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #10CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5149.5Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #11CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5132.3Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #12CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O5189.0Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #13CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O)C(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5209.4Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #14CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5249.2Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #15CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5237.8Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #16CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O5358.2Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #2CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O5135.9Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #3CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5192.5Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #4CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5156.4Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #5CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O5236.7Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #6CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O5060.4Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #7CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5140.5Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #8CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5125.6Semi standard non polar33892256
leukotriene-f4,2TBDMS,isomer #9CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](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(=O)O)[C@@H](O)CCCC(=O)O5184.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (Non-derivatized) - 70eV, Positivesplash10-00r6-9223370000-a9e525c4138176b044252017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (1 TMS) - 70eV, Positivesplash10-00r5-5113092000-0987fce2c9508c1736592017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS ("leukotriene-f4,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - leukotriene-f4 GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 10V, Positive-QTOFsplash10-0zn9-0001290000-5f6ecea639d5304a03742017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 20V, Positive-QTOFsplash10-000i-1505960000-09896110e3e14ef1be012017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 40V, Positive-QTOFsplash10-0zmi-4449310000-5dfd69aafe77833a946b2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 10V, Negative-QTOFsplash10-00l2-0013090000-c1e79fe626b283de39eb2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 20V, Negative-QTOFsplash10-0f8a-0259230000-3f34a12c8602a1bcf9712017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 40V, Negative-QTOFsplash10-029i-6942000000-ccbde20711c1d0a03d9d2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 10V, Positive-QTOFsplash10-0uxr-0229130000-6a84dae425c42ede88c72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 20V, Positive-QTOFsplash10-0lds-2913000000-b66ec4cfd6a24b51e1e12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 40V, Positive-QTOFsplash10-0apr-2900000000-82572fcc49f3d04fd9152021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 10V, Negative-QTOFsplash10-014i-0100190000-2feead146a14872b93682021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 20V, Negative-QTOFsplash10-001s-1924320000-493c4e597b76e8f5890c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - leukotriene-f4 40V, Negative-QTOFsplash10-000x-9501000000-d41a81d86c92e690d5692021-09-23Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound90476574
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.