precursor

Showing entry for γ-glutamyl cysteine

Identification

PhytoHub ID
PHUB001850
Name
γ-glutamyl cysteine
Systematic Name
Not Available
Synonyms
  • gamma-Glu-Cys
  • L-gamma-glutamyl-L-cysteine
CAS Number
636-58-8
Average Mass
250.27
Monoisotopic Mass
250.062342733
Chemical Formula
C8H14N2O5S
IUPAC Name
(2S)-2-amino-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
InChI Key
RITKHVBHSGLULN-WHFBIAKZSA-N
InChI Identifier
InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
SMILES
N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.62e+00 g/l
LogS (ALOGPS)
-1.98
LogP (ALOGPS)
-2.53
Hydrogen Acceptors
6
Hydrogen Donors
5
Rotatable Bond Count
7
Polar Surface Area
129.71999999999997
Refractivity
56.311400000000006
Polarizability
23.06730230278145
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
9.239048816239574
pKa (strongest acidic)
1.9096914223488342
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Miscellaneous phytochemicals
Class
Not Available
Sub-class
Not Available

Spectra from Phytohub

Food Sources

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

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