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CHEBI:180586 - Asn Val Asn Pro

ChEBI IDCHEBI:180586
ChEBI NameAsn Val Asn Pro
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30N6O7
Net Charge0
Average Mass442.473
Monoisotopic Mass442.21760
SMILESCC(C)C(NC(=O)C(N)CC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C18H30N6O7/c1-8(2)14(23-15(27)9(19)6-12(20)25)16(28)22-10(7-13(21)26)17(29)24-5-3-4-11(24)18(30)31/h8-11,14H,3-7,19H2,1-2H3,(H2,20,25)(H2,21,26)(H,22,28)(H,23,27)(H,30,31)
InChIKeyXUTOXNRSAGLAKO-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 Val Asn Pro (CHEBI:180586) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
1-[4-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
16599684ChemSpider