(R)-2,4-Dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide

• CAS: 496-65-1
• Catalog Number: ACM496651
• Category: Other Products
• Molecular Weight: 278.36838
• Molecular Formula: C₁₁H₂₂N₂O₄S
• Synonyms: (R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide;Lactobacillusbulgaricusfactor;2,4-dihydroxy-3,3-dimethyl-N-[2-(2-sulfanylethylcarbamoyl)ethyl]butanamide;Pantetheine;pantethine, Bis(N-pantothenylamidoethyl) disulfide;(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;(2R)-2,4-Dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutanamide
• Hazard Statements: T
• Safety Description: 45
• Supplemental Hazard Statements: H301
• Symbol: GHS06

Custom Q&A

What is the molecular formula of pantetheine?

The molecular formula of pantetheine is C11H22N2O4S.

What is the molecular weight of pantetheine?

The molecular weight of pantetheine is 278.37 g/mol.

How is pantetheine synthesized?

Pantetheine is an amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine.

What is pantetheine's role in metabolism?

Pantetheine has a role as a metabolite, a human metabolite, and a mouse metabolite.

Where is pantetheine found in Escherichia coli?

Pantetheine is found in or produced by Escherichia coli (strain K12, MG1655).

What are some synonyms of pantetheine?

Some synonyms of pantetheine include (R)-Pantetheine, 496-65-1, D-Pantetheine, and Lactobacillus bulgaricus factor.

What are the InChI and InChIKey identifiers for pantetheine?

The InChI for pantetheine is 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 and the InChIKey is ZNXZGRMVNNHPCA-VIFPVBQESA-N.

What is the Canonical SMILES representation of pantetheine?

The Canonical SMILES representation of pantetheine is CC(C)(CO)C(C(=O)NCCC(=O)NCCS)O.

What are some identifiers for pantetheine?

Some identifiers for pantetheine include CAS number 496-65-1, ChEMBL ID CHEMBL1738861, and KEGG ID C00831.

What are some computed properties of pantetheine?

Some computed properties of pantetheine include a XLogP3-AA value of -1, 5 hydrogen bond donor count, 5 hydrogen bond acceptor count, and a topological polar surface area of 99.7 Ų.