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- 13147-34-7
Names and Identifiers
- L-Cysteine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-β-alanyl-
- Pantothenoylcysteine
- SCHEMBL1533858
- pantothenoylcysteine
- N-{N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}-L-cysteine
- Q27103065
- N-Pantothenoylcystein
- CHEBI:18416
- (3-((R)-2,4-dihydroxy-3,3-dimethylbutanamido)propanoyl)-L-cysteine
- D-Pantothenoyl-L-cysteine
- N-[(R)-pantothenoyl]-L-cysteine
- DTXSID901344076
- 13147-34-7
- N-((R)-Pantothenoyl)-L-cysteine
- AKOS040753426
- L-Cysteine, N-((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanyl-
- L-Cysteine, (2R)-2,4-dihydroxy-3,3-dimethylbutanoyl-beta-alanyl-
- L-CYSTEINE, (2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL-.BETA.-ALANYL-
- L-CYSTEINE, N-((2R)-2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANYL-
- (2R)-2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid
- UNII-8VL63G723P
- (2R)-2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
- 8VL63G723P
- Cysteine, N-D-pantothenoyl-, L-
- Pantothenylcystein
- N-Pantothenoylcysteine
- C04079
- InChIKey：QSYCTARXWYLMOF-CBAPKCEASA-N
- Inchi：1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1
- SMILES：OCC(C)([C@H](C(=O)NCCC(=O)N[C@@H](CS)C(O)=O)O)C
Chemical and Physical Properties
Computed Properties
- Exact Mass: 322.11985760g/mol
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 7
- Rotatable Bond Count: 9
- Monoisotopic Mass: 322.11985760g/mol
- Heavy Atom Count: 21
- Complexity: 388
- Isotope Atom Count: 0
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Covalently-Bonded Unit Count: 1
- XLogP3: -1.4
- Topological Polar Surface Area: 137Ų
Related Literature
- 1. Coenzyme A. Part IX. The synthesis of pantothenoylcysteine, its 4′-phosphate, and related compounds as possible precursors of the coenzyme J. Baddiley,A. P. Mathias J. Chem. Soc. 1954 2803
- 2. Nontargeted metabolomics reveals differences in the metabolite profiling among methicillin-resistant and methicillin-susceptible Staphylococcus aureus in response to antibiotics Jingjing Liu,Mingyang Qi,Zichen Yuan,Tin Yan Wong,Xiaofeng Song,Henry Lam Mol. Omics 2022 18 948
- 3. Biologically generated carbon dioxide: nature's versatile chemical strategies for carboxy lyases Christopher T. Walsh Nat. Prod. Rep. 2020 37 100
- 4. Index of subjects, 1954 J. Chem. Soc. 1954 4743
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