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CHEBI:173265 - a-Methyldopa mono-O-sulfate

ChEBI IDCHEBI:173265
ChEBI Namea-Methyldopa mono-O-sulfate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H13NO7S
Net Charge0
Average Mass291.281
Monoisotopic Mass291.04127
SMILESC[C@](N)(Cc1ccc(O)c(OS(=O)(=O)O)c1)C(=O)O
InChIInChI=1S/C10H13NO7S/c1-10(11,9(13)14)5-6-2-3-7(12)8(4-6)18-19(15,16)17/h2-4,12H,5,11H2,1H3,(H,13,14)(H,15,16,17)/t10-/m0/s1
InChIKeySDUXLAZRTNQALM-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
a-Methyldopa mono-O-sulfate (CHEBI:173265) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
(2S)-2-amino-3-(4-hydroxy-3-sulooxyphenyl)-2-methylpropanoic acid
Manual XrefsDatabases
HMDB0142153HMDB
52084138ChemSpider
Registry NumbersSources
CAS:72572-96-4ChemIDplus