Threonylglutamine
Basic information
- CAS
96337-79-0- Standard SMILES
CC(O)C(N)C(=O)NC(CCC(N)=O)C(=O)O- InChIKey
BWUHENPAEMNGQJ-UHFFFAOYSA-N- Molecular formula
- C9H17N3O5
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.11682065
Names & identifiers
- Preferred name
- Threonylglutamine
- IUPAC
- 5-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid
- English name
- H-Thr-Gln-OH
- Molecular formula
- C9H17N3O5
- Molecular weight
- 247.25
Names & synonyms
threonylglutamine5-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acidSCHEMBL5970089BWUHENPAEMNGQJ-UHFFFAOYSA-NTQTHR-GLNH-Thr-Gln-OHL-Threonyl-L-glutamine(S)-5-Amino-2-((2S,3R)-2-amino-3-hydroxybutanamido)-5-oxopentanoic acid
Database identifiers
- CAS
96337-79-0- PubChem CID
- 3618482
- DTXSID
DTXSID60394356
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 208 °C · >208°C (subl.)
- storage temp.
- 20 °C · −20°C
- solubility
- Water (Slightly)
- form
- Solid
- color
- White to Off-White
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Additional notes
DefinitionChEBI: Thr-Gln is a dipeptide formed from L-threonine and L-glutamine residues. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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