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CHEBI:184087 - Philanthotoxin 74

ChEBI IDCHEBI:184087
ChEBI NamePhilanthotoxin 74
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42N4O3.2HCl
Net Charge0
Average Mass507.547
Monoisotopic Mass506.27905
SMILESCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCNCCCCN.Cl.Cl
InChIInChI=1S/C24H42N4O3.2ClH/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25;;/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30);2*1H/t22-;;/m0../s1
InChIKeyHWTJQQMIKVJWLH-IKXQUJFKSA-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)
ChEBI Ontology
Outgoing Relation(s)
Philanthotoxin 74 (CHEBI:184087) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
N-[(2S)-1-[7-(4-aminobutylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide;dihydrochloride
Manual XrefsDatabases
25069898ChemSpider