leukotriene C4(2-)
AlkaPlorer ID: AK076459
Synonym: 'leukotriene C(4)', '11-trans-LTC4', '(R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine', 'Leukotriene C2', '5S-hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid', '5S,6R-Ltc(sub 4)', 'leukotriene C4', '11-trans-Leukotriene C4', '5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoic acid', 'Leukotriene C4', 'leukotriene C4 dianion', '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', 'LTC (sub 4)', 'LTC4', '5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoate', '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'
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Structure
SMILES: CCCCC/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)=NCC(=O)O)[C@@H](O)CCCC(=O)O
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
InChIKey: GWNVDXQDILPJIG-NXOLIXFESA-N
Source
Properties Information
Molecule Weight: 625.7850000000003
TPSA？: 223.33
MolLogP？: 4.457500000000001
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 44668.4 | nM | None |
| Homo sapiens | Cysteinyl leukotriene receptor 1 | EC50 | 43.0 | nM | 10.1021/acs.jmedchem.1c01078 |
| Homo sapiens | Cysteinyl leukotriene receptor 2 | EC50 | 8.9 | nM | 10.1021/acs.jmedchem.1c01078 |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 5.3 | nM | None |