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

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ChEBI Name a-Methyldopa mono-O-sulfate
ChEBI ID CHEBI:173265
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H13NO7S
Net Charge 0
Average Mass 291.270
Monoisotopic Mass 291.04127
InChI InChI=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
InChIKey SDUXLAZRTNQALM-JTQLQIEISA-N
SMILES S(OC=1C=C(C[C@@](N)(C)C(O)=O)C=CC1O)(O)(=O)=O
ChEBI Ontology
Outgoing 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 Xrefs Databases
52084138 ChemSpider
HMDB0142153 HMDB
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Registry Number Type Source
72572-96-4 CAS Registry Number ChemIDplus