CID 46907902
Basic information
- CAS
799812-99-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1OP(=O)([O-])O.[NH4+].[NH4+].[NH4+]- InChIKey
BMXJUIXYBGOZPL-SJDXFXGUSA-N- Molecular formula
- C45H91N10O17P3S
- Average molar mass
- 1,169.2 g/mol
- Monoisotopic mass
- 1,168.54972364
Names & identifiers
- Preferred name
- CID 46907902
- IUPAC
- triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tetracosanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
- English name
- lignoceroyl CoenzyMe A (aMMoniuM salt)
- Molecular formula
- C45H85N8O17P3S
- Molecular weight
- 1135.2
Names & synonyms
CID 46907902799812-99-0triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tetracosanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphateDTXSID4067719924:0 Coenzyme A, lignoceroyl Coenzyme A (ammonium salt), powder24:0 Coenzyme Alignoceroyl CoenzyMe A (aMMoniuM salt)LIGNOCEROYL COENZYME A (AMMONIUM SALT)24:0 COENZYME A
Database identifiers
- CAS
799812-99-0- PubChem CID
- 46907902
- DTXSID
DTXSID40677199
Properties
Computed structural properties
- Topological polar surface area
- 400 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 42
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,740
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- powder
- Major Application
- lipidomics
- InChIKey
- BMXJUIXYBGOZPL-SJDXFXGUSA-N
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses24:0 Coenzyme A has been used as a substrate in fatty acyl-CoA reductase (AmFAR1) enzyme assay and ceramide synthase assay.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…