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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid |
| canonical smiles | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N |
| inchi | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 |
| inchi key | RWSXRVCMGQZWBV-WDSKDSINSA-N |
| molecular formula | C10H17N3O6S |
| synonyms | |
| Compound Description |
| Molecular Weight: | 307.33 g/mol |
| XLogP3: | -4.5 |
| Hydrogen Bond Donor Count: | 6 |
| Hydrogen Bond Acceptor Count: | 8 |
| Rotatable Bond Count: | 9 |
| Exact Mass: | 307.08380644 g/mol |
| Monoisotopic Mass: | 307.08380644 g/mol |
| Topological Polar Surface Area: | 160 Ų |
| Heavy Atom Count: | 20 |
| Formal Charge: | 0 |
| Complexity: | 389 |
| 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 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
| hazard statements | |
| hazards summary | Changes in leukocyte and platelet counts and causes weight loss in 21-day oral studies of mice. May cause irritation. |
| toxicity summary | Glutathione participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. Glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase I catalyzes the conversion of methylglyoxal and reduced glutathione to S-D-Lactoyl-glutathione. Glyoxalase II catalyzes the conversion of S-D-Lactoyl Glutathione to Reduced Glutathione and D-lactate. GSH is known as a cofactor in both conjugation reactions and reduction reactions, catalyzed by glutathione S-transferase enzymes in cytosol, microsomes, and mitochondria. However, it is capable of participating in non-enzymatic conjugation with some chemicals, as it is hypothesized to do to a significant extent with n-acetyl-p-benzoquinone imine , the reactive cytochrome P450 reactive metabolite formed by toxic overdose of acetaminophen. Glutathione in this capacity binds to NAPQI as a suicide substrate and in the process detoxifies it, taking the place of cellular protein sulfhydryl groups which would otherwise be toxically adducted. The preferred medical treatment to an overdose of this nature, whose efficacy has been consistently supported in literature, is the administration of N-acetylcysteine, which is used by cells to replace spent GSSG and allow a usable GSH pool. |
| carcinogen classification | default_key: No indication of carcinogenicity to humans . |
