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CHEBI:172514 - DOPA sulfate

ChEBI IDCHEBI:172514
ChEBI NameDOPA sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H11NO7S
Net Charge0
Average Mass277.254
Monoisotopic Mass277.02562
SMILESN[C@@H](Cc1ccc(O)c(OS(=O)(=O)O)c1)C(=O)O
InChIInChI=1S/C9H11NO7S/c10-6(9(12)13)3-5-1-2-7(11)8(4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H,14,15,16)/t6-/m0/s1
InChIKeySWJDFMNJUOJVPA-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
DOPA sulfate (CHEBI:172514) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(2S)-2-amino-3-(4-hydroxy-3-sulooxyphenyl)propanoic acid
Manual XrefsDatabases
155641ChemSpider
HMDB0002028HMDB
Registry NumbersSources
CAS:96253-55-3ChemIDplus