| Common Name |
Bis-gamma-glutamylcysteinylbis-beta-alanine
| Description |
Bis-gamma-glutamylcysteinylbis-beta-alanine is found in plises. Peptide present in the seeds of the mung bean (Vigna radiata) Bis-gamma-glutamylcysteinylbis-beta-alanine belongs to the family of Hybrid Peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29413 (Bis-gamma-glutamylcysteinylbis-beta-alanine)
| Synonyms |
| Value |
Source |
Bis-g-glutamylcysteinylbis-b-alanineHMDB
N,N'-[dithiobis[1-[(2-carboxyethyl)carbamoyl]ethylene]]diglutamineHMDB
| Chemical Formlia |
C22H36N6O12S2
| Average Molecliar Weight |
640.684
| Monoisotopic Molecliar Weight |
640.183262026
| IUPAC Name |
2-amino-4-[(Z)-[2-({2-[(Z)-(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]ethyl}dislifanyl)-1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl]butanoic acid
| Traditional Name |
2-amino-4-[(Z)-[2-({2-[(Z)-(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]ethyl}dislifanyl)-1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl]butanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CCC(O)=NC(CSSCC(N=C(/O)CCC(N)C(O)=O)C(O)=NCCC(O)=O)C(O)=NCCC(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C22H36N6O12S2/c23-11(21(37)38)1-3-15(29)27-13(19(35)25-7-5-17(31)32)9-41-42-10-14(20(36)26-8-6-18(33)34)28-16(30)4-2-12(24)22(39)40/h11-14H,1-10,23-24H2,(H,25,35)(H,26,36)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,37,38)(H,39,40)
| InChI Key |
NHIHYSIMMYLVDO-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 |
Tetracarboxylic acids and derivatives
Alpha amino acids
Dialkyldislifides
Amino acids
Slifenyl compounds
Propargyl-type 1,3-dipolar organic compounds
Carboxylic acids
Carboximidic acids
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Hybrid peptide
Tetracarboxylic acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Amino acid or derivatives
Amino acid
Organic dislifide
Dialkyldislifide
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Slifenyl compound
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Amine
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organoslifur compound
Primary amine
Organopnictogen compound
Carbonyl group
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 Point194 – 197 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.083 mg/mLALOGPS
logP-3.4ALOGPS
logP-1.6ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)3.12ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area331.6 Å2ChemAxon
Rotatable Bond Count23ChemAxon
Refractivity148.14 m3·mol-1ChemAxon
Polarizability64.07 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
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 |
FDB000503
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29413
| Metagene Link |
HMDB29413
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Isoginkgetin
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: 25814944
