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CHEBI:180572 - Trp-Asp-Met-Thr

ChEBI IDCHEBI:180572
ChEBI NameTrp-Asp-Met-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33N5O8S
Net Charge0
Average Mass551.622
Monoisotopic Mass551.20498
SMILESCSCCC(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1cnc2ccccc12)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C24H33N5O8S/c1-12(30)20(24(36)37)29-22(34)17(7-8-38-2)27-23(35)18(10-19(31)32)28-21(33)15(25)9-13-11-26-16-6-4-3-5-14(13)16/h3-6,11-12,15,17-18,20,26,30H,7-10,25H2,1-2H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)
InChIKeyUDTIAIKCNKLGQN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trp-Asp-Met-Thr (CHEBI:180572) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[[1-[(1-carboxy-2-hydroxypropyl)amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
16713152ChemSpider