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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-10-25 14:18:43 UTC
Update Date2021-09-14 14:59:13 UTC
HMDB IDHMDB0005095
Secondary Accession Numbers
  • HMDB05095
Metabolite Identification
Common Name11-trans-Leukotriene C4
Description11-trans-Leukotriene C4 (11-trans-LTC4) is a leukotriene derivative formed by the metabolism of LTA4 and is found in human endothelial cells. Leukotrienes (LT) are a family of naturally occurring lipids that are oxygenated metabolites of arachidonic acid. Biosynthesis of the leukotrienes involves the action of a lipoxygenase on arachidonate to yield a hydroperoxy intermediate which is then dehydrated to the allylic epoxide, LTA4. LTA4 can be hydrolyzed to the dihydroxy acid, LTB4 or it can be conjugated with glutathione (GSH) to produce the parent slow reacting substance, LTC4. The leukotrienes are mediators of inflammation, hypersensitivity reactions, and respiratory disorders. On a cellular level, LTC4 and its metabolites, LTD4 and LTE4, are potent constrictors of vascular bronchial smooth muscle. LTC4 and LTD4 also induce plasma leakage from the microvasculature. LTB4 is a potent polymorphonuclear leukocyte (PMNL) chemotaxin and induces neutrophils to degranulate, generate superoxide, and adhere to vascular endothelium. Several investigations of leukotriene synthesis by blood vessels and cultured vascular cells have been undertaken. Vascular preparations have been shown to produce LTB4 and LTC4 and to metabolize LTC4 to LTD4 and LTE4. In addition, mast cells, macrophages, and PMNL, all of which may contaminate whole vessel preparations, are known to synthesize both peptide-containing and dihydroxy acid leukotrienes. Consequently, it is unclear what cells are contributing to vascular leukotriene synthesis. No evidence of isolated vascular cell leukotriene synthesis is currently available. Indeed, this report and others have been unable to detect endothelial cell conversion of arachidonic acid to the leukotrienes. The fact that vascular endothelium lacks the full complement of leukotriene biosynthetic enzymes does not preclude an active role for this tissue in leukotriene metabolism. In some cases, tissues which are not known to synthesize leukotrienes from arachidonate are able to catalyze one or more of the intermediate steps of the pathway. In the present investigation, the leukotriene metabolism of porcine aortic endothelium has been studied. Evidence is presented which indicates that endothelial cells are unable to convert arachidonic acid to LTC4 but, nevertheless, contain LTC4 synthetase. Additional experiments suggest that a neutrophil-endothelial cell interaction augments vascular LTC4 synthesis by the intercellular transfer of LTA4 from PMNL to endothelial cells (PMID: 3023351 ). 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?1582752345
Synonyms
ValueSource
11-trans-LTC4HMDB
5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoateHMDB
5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoic acidHMDB
Leukotriene C2HMDB
[R-[R*,s*-(e,e,e,Z)]]-N-[S-[1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]-N-L-g-glutamyl-L-cysteinyl]-glycineHMDB
[R-[R*,s*-(e,e,e,Z)]]-N-[S-[1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]-N-L-gamma-glutamyl-L-cysteinyl]-glycineHMDB
5(S)-Hydroxy-6(R)-S-glutathionyl-7,9,11-trans-14-cis-eicosatetraenoic acidHMDB
Leukotriene C-2HMDB
11-trans LeukotrieneHMDB
Leukotriene CHMDB
Leukotriene C 1HMDB
Leukotriene C 4HMDB
Leukotriene C-1HMDB
Leukotrienes CHMDB
LTC4HMDB
Leukotriene C4HMDB
Leukotriene C1HMDB
Leukotriene C-4HMDB
Chemical FormulaC30H47N3O9S
Average Molecular Weight625.774
Monoisotopic Molecular Weight625.303300807
IUPAC Name(5S,6R,7E,9E,11E,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Traditional Name11-trans-LTC4
CAS Registry Number74841-69-3
SMILES
CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
InChI Identifier
InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9+,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
InChI KeyGWNVDXQDILPJIG-CCHJCNDSSA-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
  • Leukotriene
  • Hydroxyeicosatetraenoic acid
  • Eicosanoid
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Cysteine or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Tricarboxylic acid or derivatives
  • Hydroxy fatty acid
  • Thia fatty acid
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Secondary alcohol
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • 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
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-0.571Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0025 g/LALOGPS
logP0.04ALOGPS
logP-0.015ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)1.8ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area216.35 ŲChemAxon
Rotatable Bond Count25ChemAxon
Refractivity168.51 m³·mol⁻¹ChemAxon
Polarizability69.08 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]+256.03131661259
DarkChem[M-H]-244.42531661259
DeepCCS[M+H]+240.42930932474
DeepCCS[M-H]-238.60430932474
DeepCCS[M-2H]-271.84530932474
DeepCCS[M+Na]+246.03430932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
11-trans-Leukotriene C4CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O7397.4Standard polar33892256
11-trans-Leukotriene C4CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O3455.5Standard non polar33892256
11-trans-Leukotriene C4CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O5268.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
11-trans-Leukotriene C4,1TMS,isomer #1CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O5267.6Semi standard non polar33892256
11-trans-Leukotriene C4,1TMS,isomer #2CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O5306.8Semi standard non polar33892256
11-trans-Leukotriene C4,1TMS,isomer #3CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C5346.5Semi standard non polar33892256
11-trans-Leukotriene C4,1TMS,isomer #4CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C5320.2Semi standard non polar33892256
11-trans-Leukotriene C4,1TMS,isomer #5CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O5422.8Semi standard non polar33892256
11-trans-Leukotriene C4,1TMS,isomer #6CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[C@@H](O)CCCC(=O)O5275.6Semi standard non polar33892256
11-trans-Leukotriene C4,1TMS,isomer #7CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@@H](O)CCCC(=O)O5313.2Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #1CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5183.1Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #10CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5187.9Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #11CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5219.9Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #12CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5279.5Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #13CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C5387.6Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #14CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C5244.8Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #15CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C5273.1Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #16CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C5360.8Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #17CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C5206.1Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #18CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C5234.4Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #19CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5316.9Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #2CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C5232.6Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #20CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5459.8Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #21CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5341.1Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #22CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5184.8Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #3CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C5199.4Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #4CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5319.4Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #5CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5159.9Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #6CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5182.5Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #7CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O)O[Si](C)(C)C5265.3Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #8CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@@H](O)CCCC(=O)O[Si](C)(C)C5233.4Semi standard non polar33892256
11-trans-Leukotriene C4,2TMS,isomer #9CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5351.8Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #1CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5152.1Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #10CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5243.3Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #11CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5103.2Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #12CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5115.3Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #13CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5209.9Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #14CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5365.6Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #15CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5219.6Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #16CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5062.1Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #17CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5206.7Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #18CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5315.9Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #19CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5175.3Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #2CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5120.5Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #20CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5196.1Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #21CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5284.5Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #22CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5134.3Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #23CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5153.8Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #24CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5241.4Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #25CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5366.0Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #26CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5255.3Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #27CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5107.4Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #28CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5328.4Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #29CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5193.5Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #3CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5229.9Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #30CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5205.2Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #31CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5297.8Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #32CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5411.1Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #33CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5300.8Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #34CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5176.4Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #35CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5260.7Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #36CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5368.4Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #37CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5263.8Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #38CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C5111.1Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #39CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5199.6Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #4CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5081.2Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #40CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5345.7Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #41CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5368.1Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #5CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5101.8Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #6CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C5171.2Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #7CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5287.2Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #8CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5144.1Semi standard non polar33892256
11-trans-Leukotriene C4,3TMS,isomer #9CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C5154.5Semi standard non polar33892256
11-trans-Leukotriene C4,1TBDMS,isomer #1CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5520.4Semi standard non polar33892256
11-trans-Leukotriene C4,1TBDMS,isomer #2CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5571.3Semi standard non polar33892256
11-trans-Leukotriene C4,1TBDMS,isomer #3CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5585.2Semi standard non polar33892256
11-trans-Leukotriene C4,1TBDMS,isomer #4CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5582.2Semi standard non polar33892256
11-trans-Leukotriene C4,1TBDMS,isomer #5CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5624.8Semi standard non polar33892256
11-trans-Leukotriene C4,1TBDMS,isomer #6CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5542.4Semi standard non polar33892256
11-trans-Leukotriene C4,1TBDMS,isomer #7CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5541.7Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #1CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5661.6Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #10CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5676.5Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #11CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5682.4Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #12CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5767.2Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #13CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5825.1Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #14CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5720.0Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #15CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5720.0Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #16CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5809.3Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #17CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5698.2Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #18CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5693.6Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #19CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5754.1Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #2CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5705.3Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #20CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5904.8Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #21CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5753.6Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #22CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5616.0Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #3CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5682.3Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #4CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5761.0Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #5CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5643.3Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #6CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5635.9Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #7CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](CCCC(=O)O)O[Si](C)(C)C(C)(C)C5751.3Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #8CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O[Si](C)(C)C(C)(C)C5726.9Semi standard non polar33892256
11-trans-Leukotriene C4,2TBDMS,isomer #9CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](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](O)CCCC(=O)O5804.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (Non-derivatized) - 70eV, Positivesplash10-05o0-3202091000-c6dee8507ab8b61b0c022017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (1 TMS) - 70eV, Positivesplash10-0zml-4302049000-ebdf4a1bf7a63bddbe222017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-00di-0000009000-9ba4d29fb234bf629c192018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-00di-0000009000-c2e3b5fb18c749bec6832018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-00di-0000009000-764950659a3ede43e5fa2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-00di-0000009000-84d0f40152dc355939912018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-00di-0000009000-2b9de1e9017bddef56ff2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-00di-0020019000-c37ade6bbbbb0db630822018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-0c00-0290044000-556a3c7aef20c3fd1ba22018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-0un9-0492001000-2801dff9e15f1a96421c2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11-trans-Leukotriene C4 LC-ESI-QIT , negative-QTOFsplash10-01t9-0970000000-e6b8d4063abe84fe54f62018-05-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 10V, Positive-QTOFsplash10-0bwc-1011195000-27df91ea69a303a3b6922017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 20V, Positive-QTOFsplash10-004r-7403490000-a761a2807aa7a3cb8f282017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 40V, Positive-QTOFsplash10-056r-9547230000-ffbfa2fdb737a3d1d7d72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 10V, Negative-QTOFsplash10-0pir-0116059000-63fb8e625f40ffbca3d32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 20V, Negative-QTOFsplash10-0kai-0139110000-287fbebe3e5ea0115fa52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 40V, Negative-QTOFsplash10-0h2b-2913000000-0b8b08aa7450d274f7192017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 10V, Negative-QTOFsplash10-00di-0010009000-78d18a02a7849f6bf4ae2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 20V, Negative-QTOFsplash10-00di-1951014000-2f6a645de70656f26d292021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 40V, Negative-QTOFsplash10-0007-6900010000-a4f76d24eb6f5ec03a332021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 10V, Positive-QTOFsplash10-0570-1405119000-3fe7d1ddf1fa60edcdb72021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 20V, Positive-QTOFsplash10-00kr-1902000000-cf43af95f58742e020192021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11-trans-Leukotriene C4 40V, Positive-QTOFsplash10-05o0-2900000000-92e9d6fced329468ccfd2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.000009 +/- 0.000002 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023628
KNApSAcK IDNot Available
Chemspider ID4446258
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkLeukotriene C4
METLIN IDNot Available
PubChem Compound5283134
PDB IDNot Available
ChEBI ID607671
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. Feinmark SJ, Cannon PJ: Endothelial cell leukotriene C4 synthesis results from intercellular transfer of leukotriene A4 synthesized by polymorphonuclear leukocytes. J Biol Chem. 1986 Dec 15;261(35):16466-72. [PubMed:3023351 ]
  2. Lipid Maps (LMFA03020020) [Link]