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choline sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1547

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	5

formula

C₅H₁₃NO₄S

charge

mass

183.05653

reference

InChIKey

WXCQAWGXWVRCGP-UHFFFAOYSA-N

InChI

InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3

SMILES

C[N+](C)(C)CCOS(=O)(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16822 chebi:16822	choline sulfate 2-(trimethylammonio)ethyl sulfate Choline sulfate choline sulfate betaine
bigg.metabolite:chols biggM:chols kegg.compound:C00919 keggC:C00919	Choline sulfate
seed.compound:cpd00681 seedM:cpd00681	Choline sulfate choline sulfate chols
CHEBI:52859 chebi:52859	choline hydrogen sulfate N,N,N-trimethyl-2-(sulfooxy)ethanaminium choline sulfate
metacyc.compound:CPD-543 metacycM:CPD-543	choline sulfate
chebi:13987 chebi:23215 chebi:3669 biggM:M_chols keggC:M_C00919 seedM:M_cpd00681	secondary/obsolete/fantasy identifier