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

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p-cresol sulfate

	Properties	Image
MNX_ID	MNXM1371314
reference	chebi:82914
formula	C₇H₈O₄S
global charge	0
mol weight	188.204
InChIKey	WGNAKZGUSRVWRH-UHFFFAOYSA-N
InChI	InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
SMILES	CC1=CC=C(OS(=O)(=O)O)C=C1

MNX internals

InChI (mnx)	InChI=1/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
SMILES (mnx)	[CH3:1][C:6]1=[CH:3][CH:5]=[C:7]([O:11][S:12]([OH:8])(=[O:9])=[O:10])[CH:4]=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:82914 chebi:82914 WGNAKZGUSRVWRH-UHFFFAOYSA-N	p-cresol sulfate 4-cresol sulfate 4-methylphenyl hydrogen sulfate sulfuric acid mono-p-tolyl ester
metacyc.compound:CPD-16819 metacycM:CPD-16819 seed.compound:cpd32658 seedM:cpd32658 WGNAKZGUSRVWRH-UHFFFAOYSA-M	4-methylphenyl sulfate p-cresol sulfate
bigg.metabolite:pcs biggM:pcs WGNAKZGUSRVWRH-UHFFFAOYSA-M	P-Cresol Sulfate
vmhM:pcs vmhmetabolite:pcs WGNAKZGUSRVWRH-UHFFFAOYSA-M	p-Cresol sulfate (4-methylphenyl)oxidanesulfonic acid
hmdb:HMDB0011635 WGNAKZGUSRVWRH-UHFFFAOYSA-N	p-Cresol sulfate (4-methylphenyl)oxidanesulfonic acid 4-Cresol sulfate 4-Cresol sulfuric acid 4-Cresol sulphate 4-Cresol sulphuric acid Para-cresol sulfate Para-cresol sulphate Sulfate mono-p-tolyl ester Sulfuric acid mono(p-tolyl) ester (8ci) Sulfuric acid mono-p-tolyl ester Sulfuric acid, mono(4-methylphenyl) ester Sulphate mono-p-tolyl ester Sulphuric acid mono-p-tolyl ester mono(4-Methylphenyl) sulfate p-Cresol sulfuric acid p-Cresol sulphate p-Cresol sulphuric acid p-Cresyl sulfate p-Cresyl sulphate p-Cresyl-sulfate p-Cresyl-sulphate p-Cresylsulfate p-Cresylsulphate p-Tolyl sulfate (6ci,7ci) p-Tolyl sulphate (6ci,7ci)
sabiork.compound:23214 sabiorkM:23214 WGNAKZGUSRVWRH-UHFFFAOYSA-N	p-Cresyl sulfate p-Cresylsulfate
CHEBI:133670 chebi:133670 WGNAKZGUSRVWRH-UHFFFAOYSA-M	p-cresol sulfate(1-) 4-methylphenyl sulfate 4-tolyl sulfate(1-) p-cresol sulfate p-cresyl sulfate(1-) p-tolyl sulfate(1-) para-cresol sulfate(1-) para-cresyl sulfate(1-) para-tolyl sulfate(1-)
hmdb:HMDB11635 biggM:M_pcs seedM:M_cpd32658 vmhM:M_pcs	secondary/obsolete/fantasy identifier