N-L-Glutamyl-S-sinapyl-L-cysteine
precursor
Showing entry for N-L-Glutamyl-S-sinapyl-L-cysteine
Identification
- PhytoHub ID
- PHUB002851
- Name
- N-L-Glutamyl-S-sinapyl-L-cysteine
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 442.48
- Monoisotopic Mass
- 442.140986979
- Chemical Formula
- C19H26N2O8S
- IUPAC Name
- Not Available
- InChI Key
- GPHRGVHMPPBSFE-ONEGZZNKNA-N
- InChI Identifier
InChI=1/C19H26N2O8S/c1-28-14-8-11(9-15(29-2)17(14)23)4-3-7-30-10-13(19(26)27)21-16(22)6-5-12(20)18(24)25/h3-4,8-9,12-13,23H,5-7,10,20H2,1-2H3,(H,21,22)(H,24,25)(H,26,27)/b4-3+
- SMILES
COC1=CC(\C=C\CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O)=CC(OC)=C1O
- Structure
Structure for N-L-Glutamyl-S-sinapyl-L-cysteine
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Not Available
- Class
- Not Available
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Pineapple | Fruit, Tropical fruits | Publications | Show | |
| pineapple juice | Beverages, Non-alcoholic | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available