CHEBI:85645 - p-nitrophenyl palmitate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name p-nitrophenyl palmitate
ChEBI ID CHEBI:85645
ChEBI ASCII Name p-nitrophenyl palmitate
Definition A palmitate ester obtained by condensation of the carboxy group of palmitic acid with the phenolic hydroxy group of p-nitrophenol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mais Ammari
Supplier Information
Download Molfile XML SDF
Formula C22H35NO4
Net Charge 0
Average Mass 377.51760
Monoisotopic Mass 377.25661
InChI InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
InChIKey LVZSQWIWCANHPF-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
ChEBI Ontology
Outgoing p-nitrophenyl palmitate (CHEBI:85645) has functional parent 4-nitrophenol (CHEBI:16836)
p-nitrophenyl palmitate (CHEBI:85645) is a C-nitro compound (CHEBI:35716)
p-nitrophenyl palmitate (CHEBI:85645) is a hexadecanoate ester (CHEBI:25835)
IUPAC Name
4-nitrophenyl hexadecanoate
Synonyms Sources
(4-nitrophenyl) hexadecanoate PDBeChem
4-Nitrophenyl palmitate ChemIDplus
Hexadecanoic acid 4-nitrophenyl ester SUBMITTER
p-nitrophenyl hexadecanoate ChEBI
para-nitrophenyl palmitate SUBMITTER
paranitrophenyl palmitate PDBeChem
Manual Xref Database
PNR PDBeChem
View more database links
Registry Numbers Types Sources
1492-30-4 CAS Registry Number NIST Chemistry WebBook
1492-30-4 CAS Registry Number ChemIDplus
1891754 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24879090 PubMed citation Europe PMC
25388475 PubMed citation Europe PMC
25643732 PubMed citation Europe PMC
25765304 PubMed citation Europe PMC
Last Modified
08 May 2015