(E)-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-4-methyl-3-oxohex-4-enoate
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Basic information
- CAS
64191-86-2- Standard SMILES
C/C=C(\C)C(=O)C(C(=O)[O-])C(O)C[N+](C)(C)C- InChIKey
RGEBNKQYHYKHSJ-SOFGYWHQSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.14705815
Names & identifiers
- Preferred name
- (E)-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-4-methyl-3-oxohex-4-enoate
- IUPAC
- (E)-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-4-methyl-3-oxohex-4-enoate
- English name
- Tiglylcarnitine
- Molecular formula
- C12H21NO4
- Molecular weight
- 0
Names & synonyms
TiglylcarnitineO-tiglylcarnitine
Database identifiers
- CAS
64191-86-2- PubChem CID
- 18421474
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Chemistry & industry
Additional notes
DefinitionChEBI: An O-acylcarnitine compound having trans-2-methyl-2-butenoyl (tiglyl) as the acyl substituent.
Related reactions
0 records
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Compound notes
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