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CHEBI:184344 - (2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

ChEBI IDCHEBI:184344
ChEBI Name(2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14INO7S
Net Charge0
Average Mass479.248
Monoisotopic Mass478.95357
SMILESN[C@H](Cc1ccc(Oc2ccc(OS(=O)(=O)O)c(I)c2)cc1)C(=O)O
InChIInChI=1S/C15H14INO7S/c16-12-8-11(5-6-14(12)24-25(20,21)22)23-10-3-1-9(2-4-10)7-13(17)15(18)19/h1-6,8,13H,7,17H2,(H,18,19)(H,20,21,22)/t13-/m1/s1
InChIKeyHPQMRLCNKPMUJD-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid (CHEBI:184344) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2R)-2-amino-3-[4-(3-iodo-4-sulooxyphenoxy)phenyl]propanoic acid
Manual XrefsDatabases
HMDB0060076HMDB
30778527ChemSpider