MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

4-nitrophenol

	Properties	Image
MNX_ID	MNXM526
reference	chebi:57917
formula	C₆H₄NO₃
global charge	-1
mol weight	138.102
InChIKey	BTJIUGUIPKRLHP-UHFFFAOYSA-M
InChI	InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1
SMILES	O=[N+]([O-])C1=CC=C([O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
SMILES (mnx)	[CH:1]1=[CH:3][C:6]([OH:8])=[CH:4][CH:2]=[C:5]1[N+:7]([O-:9])=[O:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	101
in models (compartimentalized)	11

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57917 chebi:57917 BTJIUGUIPKRLHP-UHFFFAOYSA-M	4-nitrophenol 4-nitrobenzen-1-olate 4-nitrophenolate 4-nitrophenolate anion 4-nitrophenolate(1-) p-nitrophenolate p-nitrophenolate anion p-nitrophenolate ion p-nitrophenolate(1-)
vmhM:pnp vmhmetabolite:pnp BTJIUGUIPKRLHP-UHFFFAOYSA-N	4-Hydroxynitrobenzene, p-Nitrophenol
bigg.metabolite:4nph biggM:4nph BTJIUGUIPKRLHP-UHFFFAOYSA-N	4-Nitrophenol
hmdb:HMDB0001232 BTJIUGUIPKRLHP-UHFFFAOYSA-N	4-Nitrophenol 1-Hydroxy-4-nitrobenzene 4-Hydroxy-1-nitrobenzene 4-Hydroxynitrobenzene 4-Nitrophenol, (18)O-labeled CPD 4-Nitrophenol, 1-(13)C-labeled CPD 4-Nitrophenol, 14C-labeled CPD 4-Nitrophenol, 2,6-(13)C2-labeled CPD 4-Nitrophenol, 2,6-(14)C2-labeled CPD 4-Nitrophenol, 2-(14)C-labeled CPD 4-Nitrophenol, aluminum salt 4-Nitrophenol, ammonium salt 4-Nitrophenol, cesium salt 4-Nitrophenol, copper(1+) salt 4-Nitrophenol, ion(1-) 4-Nitrophenol, ion(1-) hydride 4-Nitrophenol, iron(3+) salt 4-Nitrophenol, lithium salt 4-Nitrophenol, manganese (2+) salt 4-Nitrophenol, manganese salt 4-Nitrophenol, potassium salt 4-Nitrophenol, silver(2+) salt 4-Nitrophenol, sodium salt 4-Nitrophenol, sodium salt, (2:1), dihydrate 4-Nitrophenol, tin (2+) salt 4-Nitrophenol, tin (4+) salt 4-Nitrophenol, zinc salt 4-Nitrophenolate 4-nitrophenol Mononitrophenol Niphen P-nitrophenol PNP Paranitrophenol p-Hydroxynitrobenzene p-Nitrophenol
kegg.compound:C00870 keggC:C00870 BTJIUGUIPKRLHP-UHFFFAOYSA-N	4-Nitrophenol 4-Hydroxynitrobenzene Niphen PNP p-Nitrophenol
vmhM:4nph vmhmetabolite:4nph BTJIUGUIPKRLHP-UHFFFAOYSA-N	4-nitrophenolate 4-nitrophenol
reactome:R-ALL-5695950 reactomeM:R-ALL-5695950 CHEBI:16836 chebi:16836 BTJIUGUIPKRLHP-UHFFFAOYSA-N	4-nitrophenol 4-Hydroxynitrobenzene 4-Nitrophenol Niphen P-NITROPHENOL PNP p-Nitrophenol p-hydroxynitrobenzene paranitrophenol
metacyc.compound:P-NITROPHENOL metacycM:P-NITROPHENOL BTJIUGUIPKRLHP-UHFFFAOYSA-M	4-nitrophenol 4-hydroxynitrobenzene PNP niphen p-nitrophenol para-nitrophenol
seed.compound:cpd00646 seedM:cpd00646 BTJIUGUIPKRLHP-UHFFFAOYSA-N	PNP 4-Hydroxynitrobenzene 4-Nitrophenol 4-hydroxynitrobenzene 4-nitrophenol Niphen niphen p-Nitrophenol p-nitrophenol para-nitrophenol
envipath:...84bf40475a52 envipathM:...84bf40475a52 BTJIUGUIPKRLHP-UHFFFAOYSA-N	compound 0039868
envipath:...e768f58b5651 envipathM:...e768f58b5651 BTJIUGUIPKRLHP-UHFFFAOYSA-N	p-Nitrophenol
sabiork.compound:5292 sabiorkM:5292 BTJIUGUIPKRLHP-UHFFFAOYSA-N	p-Nitrophenol 4-Hydroxynitrobenzene 4-Nitrophenol Niphen PNP para-Nitrophenol
hmdb:HMDB0062627 hmdb:HMDB01232 hmdb:HMDB62627 chebi:12034 chebi:1913 chebi:20457 chebi:44390 biggM:M_4nph keggC:M_C00870 seedM:M_cpd00646 vmhM:M_4nph vmhM:M_pnp	secondary/obsolete/fantasy identifier