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CHEBI:53798 - (4-hydroxy-3-iodo-5-nitrophenyl)acetic acid

ChEBI IDCHEBI:53798
ChEBI Name(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid
Stars
DefinitionA member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group is substituted by iodo, hydroxy and nitro groups at positions 3, 4 and 5 respectively.
Last Modified23 December 2018
Submitterzjosephs
DownloadsMolfile
FormulaC8H6INO5
Net Charge0
Average Mass323.042
Monoisotopic Mass322.92907
SMILESO=C(O)Cc1cc(I)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6INO5/c9-5-1-4(3-7(11)12)2-6(8(5)13)10(14)15/h1-2,13H,3H2,(H,11,12)
InChIKeyKPWFDZXSCIFGNO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798) has role antigen (CHEBI:59132)
(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798) is a 2-nitrophenols (CHEBI:86421)
(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798) is a organoiodine compound (CHEBI:37142)
(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798) is a phenylacetic acids (CHEBI:25978)
(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798) is conjugate acid of (4-hydroxy-5-iodo-3-nitrophenyl)acetate (CHEBI:53799)
Incoming Relation(s)
1-((4-hydroxy-5-iodo-3-nitrophenyl)acetoxy)pyrrolidine-2,5-dione (CHEBI:55343) has functional parent (4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798)
(4-hydroxy-5-iodo-3-nitrophenyl)acetate (CHEBI:53799) is conjugate base of (4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798)
(4-hydroxy-3-iodo-5-nitrophenyl)acetyl group (CHEBI:53797) is substituent group from (4-hydroxy-3-iodo-5-nitrophenyl)acetic acid (CHEBI:53798)
IUPAC Name 
(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid
Synonyms  Source
Nitrohydroxyiodophenylacetic acidChEBI
Nip-haptenChemIDplus
4-hydroxy-3-iodo-5-nitro-benzeneacetic acidChemIDplus
(4-hydroxy-5-iodo-3-nitrophenyl)acetic acidChEBI
4-hydroxy-3-iodo-5-nitrobenzeneacetic acidChEBI
2-(4-hydroxy-3-iodo-5-nitrophenyl)acetic acidChEBI
Registry NumbersSources
Reaxys:14508005Reaxys
CAS:2646-51-7ChemIDplus
Citations