Basic information
- Standard SMILES
CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS- InChIKey
JDMUPRLRUUMCTL-UHFFFAOYSA-N- Molecular formula
- C11H23N2O7PS
- Average molar mass
- 358.35 g/mol
Overview
Pantetheine 4'-phosphate is a phosphopantetheine and a thiol. It has a role as a cofactor. It is a conjugate acid of a pantetheine 4'-phosphate(2-).
Names & identifiers
- Preferred name
- n~3~-(2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl)-n-(2-sulfanylethyl)-beta-alaninamide
- IUPAC
- [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate
Names & synonyms
n~3~-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate(3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-(2-sulfanylethylamino)propyl)amino)butyl) dihydrogen phosphaten~3~-(2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl)-n-(2-sulfanylethyl)-beta-alaninamideRefChem:366196pantotheine-4'-phosphateSCHEMBL1888154'-phosphopantetheine (95%)orb2817012orb2990746orb29907474?-Phosphopantetheine, free acid
Show more names
[3-Hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphonic acidMFCD18427745DB-322336C300004Q27102113N(3)-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
Database identifiers
- PubChem CID
- 987
- ChEBI
CHEBI:16858
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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