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

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(R)-noradrenaline 4'-O-sulfate

	Properties	Image
MNX_ID	MNXM12967
reference	chebi:233044
formula	C₈H₁₁NO₆S
global charge	0
mol weight	249.244
InChIKey	CVJMZWLHUCMEKO-ZETCQYMHSA-N
InChI	InChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)/t7-/m0/s1
SMILES	[NH3+]C[C@H](O)C1=CC(O)=C(OS(=O)(=O)[O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)/t7-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:8]([O:15][S:16]([OH:12])(=[O:13])=[O:14])=[C:6]([OH:10])[CH:3]=[C:5]1[C@H:7]([CH2:4][NH2:9])[OH:11]

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:233044 chebi:233044 CVJMZWLHUCMEKO-ZETCQYMHSA-N	(R)-noradrenaline 4'-O-sulfate (R)-noradrenaline 4'-O-sulfate zwitterion L-norepinephrine sulfate
hmdb:HMDB0002062 CVJMZWLHUCMEKO-ZETCQYMHSA-N	Norepinephrine sulfate Noradrenaline sulfate Noradrenaline sulfoconjugate Noradrenaline sulphate Norepinephrine sulfuric acid Norepinephrine sulphate Norepinephrine sulphuric acid Norepinephrine-3-O-sulfate Norepinephrine-3-O-sulphate Norepinephrine-O-sulfate Norepinephrine-O-sulphate norepinephrine sulfate {4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl}oxidanesulfonate {4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid {4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl}oxidanesulphonate {4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl}oxidanesulphonic acid
CHEBI:90022 chebi:90022 CVJMZWLHUCMEKO-ZETCQYMHSA-N	Norepinephrine sulfate Noradrenaline sulfate Noradrenaline sulfoconjugate Noradrenaline sulphate Norepinephrine-3-O-sulfate Norepinephrine-3-O-sulphate Norepinephrine-O-sulfate Norepinephrine-O-sulphate {4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid
bigg.metabolite:nrpphrsf biggM:nrpphrsf CVJMZWLHUCMEKO-ZETCQYMHSA-N	Sulfate derivative of norepinephrine
vmhM:nrpphrsf vmhmetabolite:nrpphrsf CVJMZWLHUCMEKO-ZETCQYMHSA-N	Sulfate derivative of norepinephrine {4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid
hmdb:HMDB0006346 hmdb:HMDB02062 hmdb:HMDB06346 biggM:M_nrpphrsf vmhM:M_nrpphrsf	secondary/obsolete/fantasy identifier