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CHEBI:169681 - Histidinyl-Isoleucine

ChEBI IDCHEBI:169681
ChEBI NameHistidinyl-Isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O3
Net Charge0
Average Mass268.317
Monoisotopic Mass268.15354
SMILESCCC(C)C(NC(=O)C(N)Cc1cncn1)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyIDXZDKMBEXLFMB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Histidinyl-Isoleucine (CHEBI:169681) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
3275731ChemSpider
HMDB0028888HMDB