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CHEBI:184009 - 4-nitrobenzylamine

ChEBI IDCHEBI:184009
ChEBI Name4-nitrobenzylamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H][C@@]12CCC3=CCCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)C(C)C
InChIInChI=1S/C27H44O/c1-18(2)25(28)14-9-19(3)22-12-13-23-21-11-10-20-8-6-7-16-26(20,4)24(21)15-17-27(22,23)5/h8,18-19,21-24H,6-7,9-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyOZRGLPAXIYOWIG-HZPUXBNGSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
4-nitrobenzylamine (CHEBI:184009) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
(4-nitrophenyl)methanamine
Manual XrefsDatabases
27115ChemSpider
PNZPDBeChem