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CHEBI:180589 - Asp Gly Arg Asn

ChEBI IDCHEBI:180589
ChEBI NameAsp Gly Arg Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28N8O8
Net Charge0
Average Mass460.448
Monoisotopic Mass460.20301
SMILESNC(=O)CC(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(N)CC(=O)O)C(=O)O
InChIInChI=1S/C16H28N8O8/c17-7(4-12(27)28)13(29)22-6-11(26)23-8(2-1-3-21-16(19)20)14(30)24-9(15(31)32)5-10(18)25/h7-9H,1-6,17H2,(H2,18,25)(H,22,29)(H,23,26)(H,24,30)(H,27,28)(H,31,32)(H4,19,20,21)
InChIKeyDBLPNHGKMDHWNZ-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 Gly Arg Asn (CHEBI:180589) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
3-amino-4-[[2-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
16602847ChemSpider