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CHEBI:184079 - N-formylamphetamine

ChEBI IDCHEBI:184079
ChEBI NameN-formylamphetamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H56N4O9
Net Charge0
Average Mass796.962
Monoisotopic Mass796.40473
SMILES[H][C@]12CN(CCc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N[C@]3([H])[C@@]45CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]3(O)OC(C)=O)[C@]45[H])C1)C[C@](O)(CC)C2
InChIInChI=1S/C45H56N4O9/c1-7-41(53)22-28-23-44(40(52)56-6,36-30(14-18-48(24-28)25-41)29-12-9-10-13-33(29)46-36)32-20-31-34(21-35(32)55-5)47-37-43(31)16-19-49-17-11-15-42(8-2,38(43)49)39(57-26(3)50)45(37,54)58-27(4)51/h9-13,15,20-21,28,37-39,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39-,41+,42-,43-,44+,45+/m1/s1
InChIKeyUKTHEPLAUBGZND-JVXAYHPRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
N-formylamphetamine (CHEBI:184079) is a amphetamines (CHEBI:35338)
IUPAC Name 
N-(1-phenylpropan-2-yl)ormamide
Manual XrefsDatabases
59055ChemSpider