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CHEBI:230342 - 2-Aminobenzylstatine

ChEBI IDCHEBI:230342
ChEBI Name2-Aminobenzylstatine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24N2O3
Net Charge0
Average Mass280.368
Monoisotopic Mass280.17869
SMILESCC(C)C[C@H](NCc1ccccc1N)[C@@H](O)CC(=O)O
InChIInChI=1S/C15H24N2O3/c1-10(2)7-13(14(18)8-15(19)20)17-9-11-5-3-4-6-12(11)16/h3-6,10,13-14,17-18H,7-9,16H2,1-2H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyZUABZDFQEBEGFX-KBPBESRZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-Aminobenzylstatine (CHEBI:230342) has functional parent γ-amino acid (CHEBI:33707)
2-Aminobenzylstatine (CHEBI:230342) is a organonitrogen compound (CHEBI:35352)
2-Aminobenzylstatine (CHEBI:230342) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,4S)-4-[(2-aminophenyl)methylamino]-3-hydroxy-6-methylheptanoic acid