1.0 2016-09-30 23:15:24 UTC 2020-04-22 15:15:21 UTC BMDB0005095 BMDB05095 11-trans-Leukotriene C4 11-trans-LTC4 5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoate 5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoic acid Leukotriene C2 [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]-glycine [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]-glycine 5(S)-Hydroxy-6(R)-S-glutathionyl-7,9,11-trans-14-cis-eicosatetraenoic acid Leukotriene C-2 11-trans Leukotriene Leukotriene C Leukotriene C 1 Leukotriene C 4 Leukotriene C-1 Leukotrienes C LTC4 Leukotriene C4 Leukotriene C1 Leukotriene C-4 C30H47N3O9S 625.774 625.303300807 (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 11-trans-LTC4 74841-69-3 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=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 GWNVDXQDILPJIG-CCHJCNDSSA-N 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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dialkylthioethers Gamma-glutamyl peptides Glutamine and derivatives Hydrocarbon derivatives Hydroxy fatty acids Hydroxyeicosatetraenoic acids L-alpha-amino acids Leukotrienes Monoalkylamines N-acyl amines N-acyl-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 amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Cysteine or derivatives Dialkylthioether Eicosanoid Fatty acyl Fatty amide Gamma-glutamyl alpha peptide 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-substituted-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 Solid logp -0.571 logp 0.04 ALOGPS logs -5.39 ALOGPS logp -0.015 ChemAxon pka_strongest_acidic 1.8 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (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 ChemAxon average_mass 625.774 ChemAxon mono_mass 625.303300807 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)NCC(O)=O)[C@@H](O)CCCC(O)=O ChemAxon formula C30H47N3O9S ChemAxon inchi 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 ChemAxon inchikey GWNVDXQDILPJIG-CCHJCNDSSA-N ChemAxon polar_surface_area 216.35 ChemAxon refractivity 168.51 ChemAxon polarizability 69.08 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 10 ChemAxon donor_count 7 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 Arachidonic Acid Metabolism SMP0087220 Fc Epsilon Receptor I Signaling in Mast Cells SMP0108186 Specdb::MsMs 307903 Specdb::MsMs 307904 Specdb::MsMs 307905 Specdb::MsMs 351955 Specdb::MsMs 351956 Specdb::MsMs 351957 Specdb::MsMs 1218215 Specdb::MsMs 1218216 Specdb::MsMs 1218217 Specdb::MsMs 1218218 Specdb::MsMs 1218219 Specdb::MsMs 1218220 Specdb::MsMs 1218221 Specdb::MsMs 1218222 Specdb::MsMs 1218223 Specdb::MsMs 2279704 Specdb::MsMs 2279705 Specdb::MsMs 2279706 Specdb::MsMs 3089089 Specdb::MsMs 3089090 Specdb::MsMs 3089091 Specdb::CMs 18867 Specdb::CMs 38862 Specdb::CMs 566360 Specdb::CMs 566361 Specdb::CMs 566362 Specdb::CMs 566363 Specdb::CMs 566364 Specdb::CMs 566365 Specdb::CMs 566366 Specdb::CMs 566367 Specdb::CMs 566368 Specdb::CMs 566369 Specdb::CMs 566370 Specdb::CMs 566371 Specdb::CMs 566372 Specdb::CMs 566373 Specdb::CMs 566374 Specdb::CMs 566375 Specdb::CMs 566376 Specdb::CMs 566377 Specdb::CMs 566378 Specdb::CMs 566379 Specdb::CMs 566380 Specdb::CMs 566381 Specdb::CMs 566382 Specdb::NmrOneD 54942 Specdb::NmrOneD 54943 Specdb::NmrOneD 54944 Specdb::NmrOneD 54945 Specdb::NmrOneD 54946 Specdb::NmrOneD 54947 Specdb::NmrOneD 54948 Specdb::NmrOneD 54949 Specdb::NmrOneD 54950 Specdb::NmrOneD 54951 Specdb::NmrOneD 54952 Specdb::NmrOneD 54953 Specdb::NmrOneD 54954 Specdb::NmrOneD 54955 Specdb::NmrOneD 54956 Specdb::NmrOneD 54957 Specdb::NmrOneD 54958 Specdb::NmrOneD 54959 Specdb::NmrOneD 54960 Specdb::NmrOneD 54961 4446258 FDB023628 5283134 607671 Leukotriene C4