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CHEBI:180590 - Asp Ile Met Thr

ChEBI IDCHEBI:180590
ChEBI NameAsp Ile Met Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34N4O8S
Net Charge0
Average Mass478.568
Monoisotopic Mass478.20974
SMILESCCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(CCSC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C19H34N4O8S/c1-5-9(2)14(22-16(27)11(20)8-13(25)26)18(29)21-12(6-7-32-4)17(28)23-15(10(3)24)19(30)31/h9-12,14-15,24H,5-8,20H2,1-4H3,(H,21,29)(H,22,27)(H,23,28)(H,25,26)(H,30,31)
InChIKeyMULILVLIEUHVTJ-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)
Asp Ile Met Thr (CHEBI:180590) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
3-amino-4-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
16603880ChemSpider