CHEBI:169681 - Histidinyl-Isoleucine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Histidinyl-Isoleucine
ChEBI ID CHEBI:169681
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20N4O3
Net Charge 0
Average Mass 268.317
Monoisotopic Mass 268.15354
InChI InChI=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)
InChIKey IDXZDKMBEXLFMB-UHFFFAOYSA-N
SMILES OC(=O)C(NC(=O)C(N)CC=1NC=NC1)C(CC)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
3275731 ChemSpider
HMDB0028888 HMDB
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