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Universal:chols

choline sulfate

Default Component
chols:0
  • choline sulfate
  • Charge: 0
  • Formula: C5H13NO4S
CHEBI:16822
  • choline sulfate
  • Type: Small Molecule
  • InChiKey: WXCQAWGXWVRCGP-UHFFFAOYSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 183.226[0], 183.0[1]
  • SMILES: C[N+](C)(C)CCOS(=O)(=O)[O-][0,1]
  • Names: Choline sulfate[0,1], 2-(trimethylammonio)ethyl sulfate[0], choline sulfate[0,1], choline sulfate betaine[0]
Data Sources: [0] CHEBI:16822 via ChEBI, [1] cpd00681 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:16822 via ChEBI, [1] cpd00681 via ModelSEED
Alternative Component
chols:1
  • choline hydrogen sulfate
  • Charge: 1
  • Formula: C5H14NO4S
CHEBI:52859
  • choline hydrogen sulfate
  • Type: Small Molecule
  • InChiKey: WXCQAWGXWVRCGP-UHFFFAOYSA-O
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 184.234[0]
  • SMILES: C[N+](C)(C)CCOS(=O)(=O)O[0]
  • Names: N,N,N-trimethyl-2-(sulfooxy)ethanaminium[0], choline sulfate[0]
Data Sources: [0] CHEBI:52859 via ChEBI
Linkouts
Data Sources: [0] CHEBI:52859 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism