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CHEBI:181197 - (3S)-3-Amino-4-(1H-indol-3-yl)butanoic acid

Default Structure
ChEBI IDCHEBI:181197
ChEBI Name(3S)-3-Amino-4-(1H-indol-3-yl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14N2O2
Net Charge0
Average Mass218.256
Monoisotopic Mass218.10553
SMILESN[C@H](CC(=O)O)Cc1cnc2ccccc12
InChIInChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1
InChIKeyDUVVFMLAHWNDJD-VIFPVBQESA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-Amino-4-(1H-indol-3-yl)butanoic acid (CHEBI:181197) has functional parent β-amino acid (CHEBI:33706)
(3S)-3-Amino-4-(1H-indol-3-yl)butanoic acid (CHEBI:181197) is a organonitrogen compound (CHEBI:35352)
(3S)-3-Amino-4-(1H-indol-3-yl)butanoic acid (CHEBI:181197) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid
Manual XrefsDatabases
2042277ChemSpider
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