Molecule

gamma-glutamyltyramine

AlkaPlorer ID: AK109768

Synonym: 'N-(gamma-glutamyl)tyramine', 'N-(gamma-L-glutamyl)tyramine', 'gamma-L-glutamyltyramine'

IUPAC Name: (2S)-2-amino-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoic acid

SMILES: N[C@@H](CCC(O)=NCCC1=CC=C(O)C=C1)C(=O)O

InChI: InChI=1S/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1

InChIKey: ICIIWGMCNMZIQX-NSHDSACASA-N

PubChem CID: 10214674

LOTUS: LTS0168536

SuperNatural Ⅲ: SN0141812-01

NPASS: NPC102805

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Methanocaldococcus jannaschii	Methanocaldococcus	Methanocaldococcaceae	Methanococcales	Methanococci	Euryarchaeota	None	Archaea

Molecule Weight: 266.297

TPSA？: 116.14

MolLogP？: 1.0832999999999997

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT018405	NCCc1ccc(O)cc1.N[C@@H](CCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O	RXN-15947
AKRT018536	NCc1cc(COP(=O)(O)OP(=O)(O)O)co1.N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O>>NCc1cc(COc2ccc(CCNC(=O)CCC(N)C(=O)O)cc2)co1	R11040
AKRT018537	NCc1cc(COP(=O)(O)OP(=O)(O)O)co1.N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O>>NCc1cc(COc2ccc(CCNC(=O)CC[C@H](N)C(=O)O)cc2)co1	RXN-15945
AKRT019088	N[C@@H](CCC(=O)O)C(=O)O.NCCc1ccc(O)cc1>>N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O	enzymemap_91237