Molecule

pyroglutamylglutamine

AlkaPlorer ID: AK086751

Synonym: 'L-p-Glu-L-Gln', 'Pyro-L-glutaminyl-L-glutamine', '5-oxoprolylglutamine', 'L-pyroglutamyl-L-glutamine', 'p-Glu-Gln'

IUPAC Name: (2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

SMILES: N=C(O)CC[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(=O)O

InChI: InChI=1S/C10H15N3O5/c11-7(14)3-1-6(10(17)18)13-9(16)5-2-4-8(15)12-5/h5-6H,1-4H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)/t5-,6-/m0/s1

InChIKey: ILAITOFTZJRIFJ-WDSKDSINSA-N

PubChem CID: 11010621

SuperNatural Ⅲ: SN0148440-02

NPASS: NPC44228

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tripterospermum japonicum	Tripterospermum	Gentianaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zanthoxylum petiolare	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lappula intermedia	Lappula	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bossiella orbigniana	Bossiella	Corallinaceae	Corallinales	Florideophyceae	Rhodophyta	None	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Streptomyces roseoviolaceus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Macrotyloma uniflorum	Macrotyloma	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erimacrus isenbeckii	Erimacrus	Atelecyclidae	Decapoda	Malacostraca	Arthropoda	Metazoa	Eukaryota
Streptomyces violaceusniger	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 257.246

TPSA？: 146.56

MolLogP？: 0.8304699999999998

Number of H-Donors: 5

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT016849	NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O>>NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O	enzymemap_33183
AKRT016926	NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O>>NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O	None