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CHEBI:228478 - MKK

ChEBI IDCHEBI:228478
ChEBI NameMKK
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33FN4O2
Net Charge0
Average Mass464.585
Monoisotopic Mass464.25875
SMILESCC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C27H33FN4O2/c1-20-10-11-24(28)25(18-20)32-19-27(26(29-32)21(2)33,23-8-5-4-6-9-23)12-7-13-30-14-16-31(17-15-30)22(3)34/h4-6,8-11,18H,7,12-17,19H2,1-3H3/t27-/m0/s1
InChIKeyRYUBEOMELHCHMO-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
MKK (CHEBI:228478) is a benzenes (CHEBI:22712)
MKK (CHEBI:228478) is a organic amino compound (CHEBI:50047)
IUPAC Name 
1-[(4R)-4-[3-(4-acetylpiperazin-1-yl)propyl]-2-(2-luoro-5-methylphenyl)-4-phenyl-3H-pyrazol-5-yl]ethanone
Manual XrefsDatabases
9714729ChemSpider
MKKPDBeChem