1.0 2016-09-30 23:22:14 UTC 2020-04-22 15:17:30 UTC BMDB0006465 BMDB06465 Leukotriene F4 5(S)-Hydroxy-6(R)-S-gamma-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoic acid L-gamma-Glutamyl-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine Leukotriene F-4 LTF4 5(S)-Hydroxy-6(R)-S-g-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoate 5(S)-Hydroxy-6(R)-S-g-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoic acid 5(S)-Hydroxy-6(R)-S-gamma-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoate 5(S)-Hydroxy-6(R)-S-γ-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoate 5(S)-Hydroxy-6(R)-S-γ-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoic acid L-g-Glutamyl-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine L-Γ-glutamyl-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine 5S-Hydroxy-6R-(S-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoate 5S-Hydroxy-6R-(S-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid C28H44N2O8S 568.723 568.281837084 (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid leukotriene F4 83851-42-7 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)=O)[C@@H](O)CCCC(O)=O 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 PYSODLWHFWCFLV-VJBFNVCUSA-N 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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Leukotrienes Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dialkylthioethers Dipeptides Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives Hydroxy fatty acids Hydroxyeicosatetraenoic acids L-alpha-amino acids Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Sulfenyl compounds Thia fatty acids Tricarboxylic acids and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Cysteine or derivatives Dialkylthioether Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative Hydroxy fatty acid Hydroxyeicosatetraenoic acid L-alpha-amino acid Leukotriene N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary alcohol Secondary carboxylic acid amide Sulfenyl compound Thia fatty acid Thioether Tricarboxylic acid or derivatives Aliphatic acyclic compounds Leukotrienes Leukotrienes leukotriene Solid logp 0.69 ALOGPS logs -5.29 ALOGPS logp 1.14 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid ChemAxon average_mass 568.723 ChemAxon mono_mass 568.281837084 ChemAxon 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)=O)[C@@H](O)CCCC(O)=O ChemAxon formula C28H44N2O8S ChemAxon inchi 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 ChemAxon inchikey PYSODLWHFWCFLV-VJBFNVCUSA-N ChemAxon polar_surface_area 187.25 ChemAxon refractivity 155.71 ChemAxon polarizability 62.92 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 295987 Specdb::MsMs 295988 Specdb::MsMs 295989 Specdb::MsMs 337168 Specdb::MsMs 337169 Specdb::MsMs 337170 Specdb::MsMs 2744424 Specdb::MsMs 2744425 Specdb::MsMs 2744426 Specdb::MsMs 2934998 Specdb::MsMs 2934999 Specdb::MsMs 2935000 Specdb::CMs 13607 Specdb::CMs 39019 Specdb::CMs 282202 Specdb::CMs 365588 Specdb::CMs 365589 Specdb::CMs 365590 Specdb::CMs 365591 Specdb::CMs 365592 Specdb::CMs 365593 Specdb::CMs 365594 Specdb::CMs 365595 Specdb::CMs 365596 Specdb::CMs 365597 Specdb::CMs 365598 Specdb::CMs 365599 Specdb::CMs 365600 Specdb::CMs 365601 Specdb::CMs 365602 Specdb::CMs 365603 Specdb::CMs 365604 Specdb::CMs 365605 Specdb::CMs 365606 Specdb::CMs 365607 Specdb::CMs 365608 Specdb::CMs 365609 FDB023925 4444440 27491 5280938 C06462 2705818