CHEBI:41214 - 4-nitrobenzyl alcohol

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ChEBI Name 4-nitrobenzyl alcohol
ChEBI ID CHEBI:41214
Definition A member of the class of benzyl alcohols that is benzyl alcohol substituted at the para-position by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H7NO3
Net Charge 0
Average Mass 153.13540
Monoisotopic Mass 153.04259
InChI InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
InChIKey JKTYGPATCNUWKN-UHFFFAOYSA-N
SMILES OCc1ccc(cc1)[N+]([O-])=O
Roles Classification
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
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ChEBI Ontology
Outgoing 4-nitrobenzyl alcohol (CHEBI:41214) has role xenobiotic metabolite (CHEBI:76206)
4-nitrobenzyl alcohol (CHEBI:41214) is a C-nitro compound (CHEBI:35716)
4-nitrobenzyl alcohol (CHEBI:41214) is a benzyl alcohols (CHEBI:22743)
IUPAC Name
(4-nitrophenyl)methanol
Synonyms Sources
4-Nitrobenzenemethanol ChemIDplus
p-(hydroxymethyl)nitrobenzene ChemIDplus
p-nitrobenzyl alcohol ChemIDplus
PARANITROBENZYL ALCOHOL PDBeChem
Manual Xrefs Databases
BPN PDBeChem
CPD-702 MetaCyc
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Registry Numbers Types Sources
1424026 Beilstein Registry Number Beilstein
1424026 Reaxys Registry Number Reaxys
619-73-8 CAS Registry Number NIST Chemistry WebBook
619-73-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1650428 PubMed citation Europe PMC
22081126 PubMed citation Europe PMC
6141911 PubMed citation Europe PMC
9223277 PubMed citation Europe PMC
Last Modified
14 May 2014