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CHEBI:94696 - (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

ChEBI IDCHEBI:94696
ChEBI Name(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
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FormulaC15H13I2NO4
Net Charge0
Average Mass525.080
Monoisotopic Mass524.89340
SMILESN[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O
InChIInChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
InChIKeyZHSOTLOTTDYIIK-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid (CHEBI:94696) is a phenylalanine derivative (CHEBI:25985)
Manual XrefsDatabases
LSM-5738LINCS