4,5-Leukotriene A4
PubChem CID: 5280534
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| Compound Synonyms | 4,5-Leukotriene A4, 4,5-LTA4, CHEBI:28367, 4R,5R-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid, 4R,5R-ep 7t9t11c14c-20:4, 4R,5R-ep 7t9t11c14c-C20:4, 3-[(2R,3R)-3-[(2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraenyl]oxiran-2-yl]propanoic acid, (4R,5R,7E,9E,11Z,14Z)-4,5-epoxy-7,9,11,14-eicosatetraenoic acid, (4R,5R,7E,9E,11Z,14Z)-4,5-epoxyeicosa-7,9,11,14-tetraenoic acid, (4R,5R,7E,9E,11Z,14Z)-4,5-epoxyicosa-7,9,11,14-tetraenoic acid, 3-{(2R,3R)-3-[(2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraen-1-yl]oxiran-2-yl}propanoic acid, Theasaponin A4, 3-((2R,3R)-3-((2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraen-1-yl)oxiran-2-yl)propanoic acid, C02645, LMFA03020034, Q27103657 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ANXVUHHMAOYZPG-BOCYDZBOSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | (+)-Theasaponin A4, 4,5-Leukotriene A4 |
| Heavy Atom Count | 23.0 |
| Compound Name | 4,5-Leukotriene A4 |
| Description | 4,5-lta4, also known as 4r,5r-ep 7t9t11c14c-20:4 or 4r,5r-epoxy-7e,9e,11z,14z-eicosatetraenoic acid, is a member of the class of compounds known as epoxy fatty acids. Epoxy fatty acids are fatty acids containing an oxirane ring as part of the aliphatic chain. Thus, 4,5-lta4 is considered to be an eicosanoid lipid molecule. 4,5-lta4 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4,5-lta4 can be found in tea, which makes 4,5-lta4 a potential biomarker for the consumption of this food product. |
| Exact Mass | 318.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.219 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 318.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 3-[(2R,3R)-3-[(2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraenyl]oxiran-2-yl]propanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 4.0 |
| Inchi | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(23-18)16-17-20(21)22/h6-7,9-14,18-19H,2-5,8,15-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,14-13+/t18-,19-/m1/s1 |
| Smiles | CCCCC/C=C\C/C=C\C=C\C=C\C[C@@H]1[C@H](O1)CCC(=O)O |
| Xlogp | 5.5 |
| Defined Bond Stereocenter Count | 4.0 |
| Molecular Formula | C20H30O3 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all