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

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dopamine 3-O-sulfate

	Properties	Image
MNX_ID	MNXM2668
reference	chebi:133524
formula	C₈H₁₁NO₅S
global charge	0
mol weight	233.245
InChIKey	NZKRYJGNYPYXJZ-UHFFFAOYSA-N
InChI	InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
SMILES	[NH3+]CCC1=CC=C(O)C(OS(=O)(=O)[O-])=C1

MNX internals

InChI (mnx)	InChI=1/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
SMILES (mnx)	[CH:1]1=[CH:2][C:7]([OH:10])=[C:8]([O:14][S:15]([OH:11])(=[O:12])=[O:13])[CH:5]=[C:6]1[CH2:3][CH2:4][NH2:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133524 chebi:133524 NZKRYJGNYPYXJZ-UHFFFAOYSA-N	dopamine 3-O-sulfate 5-(2-azaniumylethyl)-2-hydroxyphenyl sulfate dopamine 3-O-sulfate zwitterion dopamine 3-monosulfate zwitterion dopamine 3-sulfate zwitterion
bigg.metabolite:dopasf biggM:dopasf NZKRYJGNYPYXJZ-UHFFFAOYSA-N	Dopamine 3-O-sulfate
hmdb:HMDB0006275 NZKRYJGNYPYXJZ-UHFFFAOYSA-N	Dopamine 3-O-sulfate 4-(2-Aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate) 4-(2-Aminoethyl)-1,2-benzenediol 2-(hydrogen sulfuric acid) 4-(2-Aminoethyl)-1,2-benzenediol 2-(hydrogen sulphate) 4-(2-Aminoethyl)-1,2-benzenediol 2-(hydrogen sulphuric acid) Dopamine 3-O-sulfuric acid Dopamine 3-O-sulphate Dopamine 3-O-sulphuric acid Dopamine 3-monosulfate Dopamine 3-monosulfuric acid Dopamine 3-monosulphate Dopamine 3-monosulphuric acid Dopamine 3-sulfate Dopamine 3-sulfuric acid Dopamine 3-sulphate Dopamine 3-sulphuric acid [5-(2-Aminoethyl)-2-hydroxyphenyl]oxidanesulfonate [5-(2-Aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid [5-(2-Aminoethyl)-2-hydroxyphenyl]oxidanesulphonate [5-(2-Aminoethyl)-2-hydroxyphenyl]oxidanesulphonic acid [5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid dopamine 3-O-sulfate
seed.compound:cpd09522 seedM:cpd09522 NZKRYJGNYPYXJZ-UHFFFAOYSA-N	Dopamine 3-O-sulfate 4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate) 5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate Dopamine 3-sulfate dopamine 3-O-sulfate
kegg.compound:C13690 keggC:C13690 NZKRYJGNYPYXJZ-UHFFFAOYSA-N	Dopamine 3-O-sulfate Dopamine 3-sulfate
metacyc.compound:CPD-7649 metacycM:CPD-7649 NZKRYJGNYPYXJZ-UHFFFAOYSA-N	dopamine 3-O-sulfate 4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate) 5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate
reactome:R-ALL-159352 reactomeM:R-ALL-159352 CHEBI:37946 chebi:37946 NZKRYJGNYPYXJZ-UHFFFAOYSA-N	dopamine 3-O-sulfate 4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate) 5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate Dopamine 3-O-sulfate Dopamine 3-sulfate [5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid dopamine 3-monosulfate
vmhM:dopasf vmhmetabolite:dopasf NZKRYJGNYPYXJZ-UHFFFAOYSA-N	dopamine 3-O-sulfate [5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid
hmdb:HMDB06275 chebi:32705 chebi:34728 biggM:M_dopasf keggC:M_C13690 seedM:M_cpd09522 vmhM:M_dopasf	secondary/obsolete/fantasy identifier