| Identification | Back Directory | [Name]
(R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide | [CAS]
496-65-1 | [Synonyms]
LBF
Pantetheine
(R)-Pantetheine
(D)-(+)-Pantetheine
Lactobacillusbulgaricusfactor
N-(Pantothenyl)-β-aminoethanethiol
pantethine, Bis(N-pantothenylamidoethyl) disulfide
2,4-dihydroxy-3,3-dimethyl-N-[2-(2-sulfanylethylcarbamoyl)ethyl]butanamide
(R)-2,4-Dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethylbutyramide
(2R)-2,4-Dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethylbutyramide
(R)-2,4-Dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutanamide
(R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide
(2R)-2,4-Dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutanamide | [EINECS(EC#)]
207-824-1 | [Molecular Formula]
C11H22N2O4S | [MDL Number]
MFCD00056757 | [MOL File]
496-65-1.mol | [Molecular Weight]
278.368 |
| Chemical Properties | Back Directory | [Appearance]
slight yellow to colorless liquid | [alpha ]
D20 +12.9° (c = 4.5 in water) | [Boiling point ]
635.0±55.0 °C(Predicted) | [density ]
1.202±0.06 g/cm3(Predicted) | [storage temp. ]
?20°C | [solubility ]
Methanol (Slightly), Water (Slightly) | [form ]
Oil | [pka]
9.75±0.10(Predicted) | [color ]
Pale Yellow to Light Yellow | [Optical Rotation]
[α]/D 17±2°, c = 1 in H2O | [BRN ]
1714196 | [InChI]
InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1 | [InChIKey]
ZNXZGRMVNNHPCA-VIFPVBQESA-N | [SMILES]
C(NCCC(NCCS)=O)(=O)[C@H](O)C(C)(C)CO |
| Hazard Information | Back Directory | [Chemical Properties]
slight yellow to colorless liquid | [Definition]
ChEBI: An amide obtained by formal condensation of the carboxy group of pantothenic acid and the maino group of cysteamine. | [Uses]
Pantetheine-d4 is a deuterated version of Pantetheine, a building block of Coenzyme A. | [Biochem/physiol Actions]
Metabolite in carbapenem biosynthesis, pantothenate and CoA biosynthesis and biosynthesis of secondary metabolites. | [IC 50]
Human Endogenous Metabolite |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Toxicity]
LD50 intraperitoneal in mouse: 440mg/kg |
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Sigma-Aldrich
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