Basic information
- Standard SMILES
CCCCC/C=C\C\C=C/C=C/C=C/[C@@H](SCC(N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O- InChIKey
YEESKJGWJFYOOK-LDDGIIIKSA-N- Molecular formula
- C25H40N2O6S
- Average molar mass
- 496.7 g/mol
Names & identifiers
- Preferred name
- (3H)Ltd4
- IUPAC
- (5S,6R,7E,9E,11Z,14Z)-6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Names & synonyms
[3H]LTD4(3H)Ltd4RefChem:1050228LTD4 (Leukotriene D4)[3H]-LTD4BML1-E08GTPL3353GTPL3412SCHEMBL4295683CHEMBL1521056YEESKJGWJFYOOK-LDDGIIIKSA-NSMP2_000046
Show more names
NCGC00161277-01Q27082010
Database identifiers
- PubChem CID
- 6435286
- ChEMBL
CHEMBL1521056
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 706
Related reactions
6 records
Compound notes
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