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

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ChEBI Name (4-hydroxy-3-iodo-5-nitrophenyl)acetic acid
ChEBI ID CHEBI:53798
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H6INO5
Net Charge 0
Average Mass 323.04140
Monoisotopic Mass 322.92907
InChI InChI=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)
InChIKey KPWFDZXSCIFGNO-UHFFFAOYSA-N
SMILES OC(=O)Cc1cc(I)c(O)c(c1)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 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 Sources
(4-hydroxy-5-iodo-3-nitrophenyl)acetic acid ChEBI
2-(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid ChEBI
4-hydroxy-3-iodo-5-nitro-benzeneacetic acid ChemIDplus
4-hydroxy-3-iodo-5-nitrobenzeneacetic acid ChEBI
Nip-hapten ChemIDplus
Nitrohydroxyiodophenylacetic acid ChEBI
Registry Numbers Types Sources
14508005 Reaxys Registry Number Reaxys
2646-51-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24383944 PubMed citation Europe PMC
7673712 PubMed citation Europe PMC
9228931 PubMed citation Europe PMC
Last Modified
23 December 2018