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CHEBI:137728 - tetragastrin

ChEBI IDCHEBI:137728
ChEBI Nametetragastrin
Stars
DefinitionA tetrapeptide composed of L-tryptophan, L-methione, L-aspartic acid and L-phenylalaninamide residues joined in sequence.
Secondary ChEBI IDCHEBI:32210
Last Modified10 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC29H36N6O6S
Net Charge0
Average Mass596.710
Monoisotopic Mass596.24170
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1
InChIKeyRGYLYUZOGHTBRF-BIHRQFPBSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (27871026)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
anxiogenic  Any psychotropic drug that induces anxiety or panic.
ChEBI Ontology
Outgoing Relation(s)
tetragastrin (CHEBI:137728) has role anxiogenic (CHEBI:137736)
tetragastrin (CHEBI:137728) has role human metabolite (CHEBI:77746)
tetragastrin (CHEBI:137728) is a peptidyl amide (CHEBI:15722)
tetragastrin (CHEBI:137728) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide
Synonyms  Source
CCK-4ChEBI
Gastrin tetrapeptideChemIDplus
Gastrin tetrapeptide amideChemIDplus
cholecystokinin-4ChEBI
Cholecystokinin tetrapeptideChemIDplus
CCRIS 3246ChemIDplus
Manual XrefsDatabases
D01456KEGG DRUG
CCK-4Wikipedia
HMDB0005775HMDB
Registry NumbersSources
Reaxys:24193542Reaxys
Reaxys:4223651Reaxys
CAS:1947-37-1ChemIDplus
Citations