CHEBI:94473 - 3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

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ChEBI Name 3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
ChEBI ID CHEBI:94473
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H8I2O3
Net Charge 0
Average Mass 417.967
Monoisotopic Mass 417.85628
InChI InChI=1S/C9H8I2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h3-4,14H,1-2H2,(H,12,13)
InChIKey REWXSFYNOFYMNX-UHFFFAOYSA-N
SMILES C1=C(C=C(C(=C1I)O)I)CCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (CHEBI:94473) is a benzenes (CHEBI:22712)
3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (CHEBI:94473) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-5224 LINCS
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