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

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4-nitrophenyl sulfate

	Properties	Image
MNX_ID	MNXM2618
reference	chebi:140994
formula	C₆H₄NO₆S
global charge	-1
mol weight	218.166
InChIKey	JBGHTSSFSSUKLR-UHFFFAOYSA-M
InChI	InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)/p-1
SMILES	O=[N+]([O-])C1=CC=C(OS(=O)(=O)[O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
SMILES (mnx)	[CH:1]1=[CH:3][C:6]([O:13][S:14]([OH:10])(=[O:11])=[O:12])=[CH:4][CH:2]=[C:5]1[N+:7]([O-:8])=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140994 chebi:140994 JBGHTSSFSSUKLR-UHFFFAOYSA-M	4-nitrophenyl sulfate p-nitrophenyl sulfate
bigg.metabolite:4nphsf biggM:4nphsf JBGHTSSFSSUKLR-UHFFFAOYSA-M	4-Nitrophenyl sulfate
vmhM:4nphsf vmhmetabolite:4nphsf JBGHTSSFSSUKLR-UHFFFAOYSA-M	4-Nitrophenyl sulfate (4-nitrophenyl)oxidanesulfonic acid
hmdb:HMDB0006492 JBGHTSSFSSUKLR-UHFFFAOYSA-N	4-Nitrophenyl sulfate (4-nitrophenyl)oxidanesulfonic acid 4-Nitrophenyl 4-Nitrophenyl hydrogen sulfuric acid 4-Nitrophenyl hydrogen sulphate 4-Nitrophenyl hydrogen sulphuric acid 4-Nitrophenyl sulfate, ion (1-) 4-Nitrophenyl sulfate, potassium salt 4-Nitrophenyl sulfate, sodium salt 4-Nitrophenyl sulfuric acid 4-Nitrophenyl sulphate 4-Nitrophenyl sulphuric acid P-nitro-Phenol P-nitrophenyl sulfate Para-nitrophenyl sulfate Para-nitrophenyl sulfuric acid Para-nitrophenyl sulphate Para-nitrophenyl sulphuric acid Sulfate mono(4-nitrophenyl) ester Sulfuric acid mono(4-nitrophenyl) ester Sulphate mono(4-nitrophenyl) ester Sulphuric acid mono(4-nitrophenyl) ester mono (4-Nitrophenyl)-sulfate mono (4-Nitrophenyl)-sulphate p-Nitrophenol sulfate p-Nitrophenol sulfuric acid p-Nitrophenol sulphate p-Nitrophenol sulphuric acid p-Nitrophenyl sulfate p-Nitrophenyl sulfuric acid p-Nitrophenyl sulphate p-Nitrophenyl sulphuric acid
sabiork.compound:22922 sabiorkM:22922 JBGHTSSFSSUKLR-UHFFFAOYSA-N	4-Nitrophenyl sulfate p-Nitrophenyl sulfate
reactome:R-ALL-176600 reactomeM:R-ALL-176600 CHEBI:35422 chebi:35422 JBGHTSSFSSUKLR-UHFFFAOYSA-N	4-nitrophenyl hydrogen sulfate 4-nitrophenyl sulfate p-nitrophenol sulfate p-nitrophenyl sulfate para-nitrophenyl sulfate sulfuric acid mono(4-nitrophenyl) ester
metacyc.compound:CPD-10183 metacycM:CPD-10183 seed.compound:cpd22596 seedM:cpd22596 JBGHTSSFSSUKLR-UHFFFAOYSA-M	p-nitrophenyl sulfate
hmdb:HMDB06492 biggM:M_4nphsf seedM:M_cpd22596 vmhM:M_4nphsf	secondary/obsolete/fantasy identifier