(5Z,8R,9R,10E,12S)-8-Acetyl-9-formyl-12-hydroxy-5,10-heptadecadienoic acid
Basic information
- CAS
91712-41-3- Standard SMILES
CCCCC[C@H](O)/C=C/[C@@H](C=O)[C@@H](C/C=C\CCCC(=O)O)C(C)=O- InChIKey
WJWAORNTZNRHBP-QNUMDXCLSA-N- Molecular formula
- C20H32O5
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.22497412
Overview
Levuglandin E2 is a levuglandin.
Names & identifiers
- Preferred name
- (5Z,8R,9R,10E,12S)-8-Acetyl-9-formyl-12-hydroxy-5,10-heptadecadienoic acid
- IUPAC
- (5Z,8R,9R,10E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid
- English name
- (5Z,8R,9R,10E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid
- Molecular formula
- C20H32O5
- Molecular weight
- 0
Names & synonyms
Levuglandin E291712-41-3DTXSID601027215CHEBI:3482110,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoateRefChem:906227DTXCID201511490(5Z,8R,9R,10E,12S)-8-Acetyl-9-formyl-12-hydroxy-5,10-heptadecadienoic acidLGE2(5Z,8R,9R,10E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid(8R,12R)-10,11-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
Show more names
levuglandin LGD2Levuglandin E-2,Levuglandin E2(5Z,8R,9R,10E,12S)-8-Acetyl-12-hydroxy-9-formyl-5,10-heptadecadienoic acid
5,10-Heptadecadienoicacid, 8-acetyl-9-formyl-12-hydroxy-, (5Z,8R,9R,10E,12S)-orb1696493SCHEMBL8838642LMFA03100001AKOS040752546T32720Q27116287(5Z,13E,15S)-15-hydroxy-9,11-dioxo-10,11-secoprosta-5,13-dienoate
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Levuglandins [FA0310]
Chemistry & industry
Applications
DescriptionLevuglandin E2 is a secoprostanoid from prostaglandin endoperoxide; gamma-ketoaldehyde cpd; related to prostaglandin E2.
Additional notes
DefinitionChEBI: Levuglandin E2 is a levuglandin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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