Basic information
- CAS
16053-56-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C- InChIKey
FNPHNLNTJNMAEE-UHFFFAOYSA-O- Molecular formula
- C25H50NO4+
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.37398408
Overview
ACar 18:0 is an O-acylcarnitine.
Names & identifiers
- Preferred name
- [3-Carboxylato-2-(stearoyloxy)propyl]trimethylaminium
- IUPAC
- (3-carboxy-2-octadecanoyloxypropyl)-trimethylazanium
Names & synonyms
ACar 18:0CAR 18:0STEAROYLCARNITINE CHLORIDE16053-56-8Spectrum_000326Spectrum4_000317Spectrum5_001828Lopac0_001116KBioGR_000934KBioSS_000806DivK1c_001017CHEMBL1433406
Show more names
SCHEMBL12648661KBio1_001017KBio2_000806KBio2_003374KBio2_005942CHEBI:190618NINDS_001017DTXSID101169040
Database identifiers
- CAS
16053-56-8- PubChem CID
- 5282
- DTXSID
DTXSID101169040- ChEMBL
CHEMBL1433406- ChEBI
CHEBI:190618
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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