Basic information
- CAS
7196-09-0- Standard SMILES
CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O- InChIKey
XQYALQVLCNHCFT-CBAPKCEASA-N- Molecular formula
- C12H23N2O9PS
- Average molar mass
- 402.36 g/mol
- Monoisotopic mass
- 402.08618849
Names & identifiers
- Preferred name
- N-((R)-4-phosphopantothenoyl)-L-cysteine
- IUPAC
- (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
- English name
- (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
- Molecular formula
- C12H23N2O9PS
- Molecular weight
- 402.36
Names & synonyms
N-[(R)-4-phosphopantothenoyl]-L-cysteine(2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acidCHEBI:15769N-((R)-4-phosphopantothenoyl)-L-cysteine(2R)-2-(3-(((2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino)propanoylamino)-3-sulfanylpropanoic acidRefChem:10907404'-Phosphopantothenoyl-L-cysteine7196-09-0Pantothenylcysteine 4'-phosphate(R)-4'-Phosphopantothenoyl-L-cysteine4'-phosphopantothenoylcysteineN-((R)-4'-phosphopantothenoyl)-L-cysteine
Show more names
Amobam Zinc4-Phosphopantothenoylcysteine(3-((R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido)propanoyl)-L-cysteineL-Cysteine, N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl-(2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropa
N-[(R)-4'-Phosphopantothenoyl]-L-cysteineN-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine4-P-N-pantothenoylcysteine4'-P-N-pantothenoylcysteineL-Cysteine, N-(N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-beta-alanyl)-, (R)-4'-phospho-N-pantothenoylcysteine(R)-4'-phospho-N-pantothenoyl-L-cysteineC04352
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- pka
- 1.89 · 1.89±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysPantothenate and CoA Biosynthesis
Suppliers2 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
Additional notes
DefinitionChEBI: N-[(R)-4-phosphopantothenoyl]-L-cysteine is the N-[(R)-4-phosphopantothenoyl] derivative of L-cysteine. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a phosphonic acid and a N-[(R)-pantothenoyl]-L-cysteine. It is a conjugate acid of a N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-).
Related reactions
1 records
Compound notes
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