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CHEBI:180587 - Asn Asn Pro Val

ChEBI IDCHEBI:180587
ChEBI NameAsn Asn Pro Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30N6O7
Net Charge0
Average Mass442.473
Monoisotopic Mass442.21760
SMILESCC(C)C(NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C18H30N6O7/c1-8(2)14(18(30)31)23-16(28)11-4-3-5-24(11)17(29)10(7-13(21)26)22-15(27)9(19)6-12(20)25/h8-11,14H,3-7,19H2,1-2H3,(H2,20,25)(H2,21,26)(H,22,27)(H,23,28)(H,30,31)
InChIKeyPSZDKHGMNWAHGO-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)
Asn Asn Pro Val (CHEBI:180587) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
2-[[1-[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
Manual XrefsDatabases
16593133ChemSpider