CAS No.13147-34-7 | Pantothenoylcysteine

Basic Information
World Suppliers

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

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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: 137Å²

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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	Supplier:上海陶术生物科技有限公司
No.	Purity	Stock	Specification	Price	update time	operate
T33877-100 mg		待询	100MG	￥-1.00	29 Jan. 2023
T33877-500 mg		待询	500MG	￥-1.00	29 Jan. 2023

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Product name：Pantothenoylcysteine

Computed Properties