| Common Name |
L-L-Homoglutathione
| Description |
L-L-Homoglutathione is found in plises. L-L-Homoglutathione occurs in seeds of various legumesL-L-Homoglutathione belongs to the family of Hybrid Peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29395 (L-L-Homoglutathione)
| Synonyms |
Not Available
| Chemical Formlia |
C11H19N3O6S
| Average Molecliar Weight |
321.35
| Monoisotopic Molecliar Weight |
321.099456045
| IUPAC Name |
2-amino-4-[(Z)-{1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-slifanylethyl}-C-hydroxycarbonimidoyl]butanoic acid
| Traditional Name |
2-amino-4-[(Z)-{1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-slifanylethyl}-C-hydroxycarbonimidoyl]butanoic acid
| CAS Registry Number |
18710-27-5
| SMILES |
NC(CCC(O)=NC(CS)C(O)=NCCC(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)
| InChI Key |
HKBNQXMLSMKLJV-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Peptidomimetics
| Direct Parent |
Hybrid peptides
| Alternative Parents |
Dipeptides
Glutamine and derivatives
N-acyl-alpha amino acids and derivatives
Alpha amino acid amides
Cysteine and derivatives
Beta amino acids and derivatives
Alpha amino acids
N-acyl amines
Fatty acids and conjugates
Dicarboxylic acids and derivatives
Amino acids
Secondary carboxylic acid amides
Carboxylic acids
Alkylthiols
Hydrocarbon derivatives
Organic oxides
Organopnictogen compounds
Carbonyl compounds
Monoalkylamines
| Substituents |
Hybrid peptide
Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Beta amino acid or derivatives
Alpha-amino acid
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Carboxylic acid derivative
Alkylthiol
Carboxylic acid
Organopnictogen compound
Hydrocarbon derivative
Primary aliphatic amine
Carbonyl group
Organic nitrogen compound
Organic oxygen compound
Amine
Organic oxide
Organooxygen compound
Organoslifur compound
Primary amine
Organonitrogen compound
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.22 mg/mLALOGPS
logP-2.1ALOGPS
logP-3.4ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)2ChemAxon
pKa (Strongest Basic)9.43ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area165.8 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity74.86 m3·mol-1ChemAxon
Polarizability31.78 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000481
| KNApSAcK ID |
Not Available
| Chemspider ID |
2620558
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29395
| Metagene Link |
HMDB29395
| METLIN ID |
Not Available
| PubChem Compound |
3375152
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Rebaudioside A
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 6282060
