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CHEBI:180612 - Asp Thr His Gly

ChEBI IDCHEBI:180612
ChEBI NameAsp Thr His Gly
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24N6O8
Net Charge0
Average Mass428.402
Monoisotopic Mass428.16556
SMILESCC(O)C(NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1cncn1)C(=O)NCC(=O)O
InChIInChI=1S/C16H24N6O8/c1-7(23)13(22-14(28)9(17)3-11(24)25)16(30)21-10(2-8-4-18-6-20-8)15(29)19-5-12(26)27/h4,6-7,9-10,13,23H,2-3,5,17H2,1H3,(H,18,20)(H,19,29)(H,21,30)(H,22,28)(H,24,25)(H,26,27)
InChIKeyGXAJEYWSNDOXFA-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 Thr His Gly (CHEBI:180612) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
3-amino-4-[[1-[[1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
16606587ChemSpider