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Universal:thmpp

thiamine(1+) diphosphate(3-)

Default Component
thmpp:-2
  • thiamine(1+) diphosphate(3-)
  • Charge: -2
  • Formula: C12H16N4O7P2S
CHEBI:58937
  • thiamine(1+) diphosphate(3-)
  • Type: Small Molecule
  • InChiKey: AYEKOFBPNLCAJY-UHFFFAOYSA-L
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 422.291[0]
  • SMILES: Cc1ncc(C[n+]2csc(CCOP(=O)([O-])OP(=O)([O-])[O-])c2C)c(N)n1[0]
  • Names: thiamine diphosphate[0], thiamine diphosphate(2-)[0], thiamine diphosphate dianion[0], 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[oxido(phosphonatooxy)phosphoryl]oxy}ethyl)-1,3-thiazol-3-ium[0], thiamine pyrophosphate dianion[0], thiamin pyrophosphate[0], thiamine pyrophosphate(2-)[0], thiamin pyrophosphate(2-)[0]
Data Sources: [0] CHEBI:58937 via ChEBI
Linkouts
Data Sources: [0] CHEBI:58937 via ChEBI
Alternative Component
thmpp:0
  • thiamine(1+) diphosphate(1-)
  • Charge: 0
  • Formula: C12H18N4O7P2S
CHEBI:45931
  • thiamine(1+) diphosphate(1-)
  • Type: Small Molecule
  • InChiKey: AYEKOFBPNLCAJY-UHFFFAOYSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 424.3[0]
  • SMILES: Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1[0]
  • Names: thiamin pyrophosphate[0], thiamine pyrophosphate[0], 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl dihydrogen diphosphate[0], thiamin diphosphate[0], thiamine diphosphate[0]
Data Sources: [0] CHEBI:45931 via ChEBI
Linkouts
Data Sources: [0] CHEBI:45931 via ChEBI
Alternative Component
thmpp:1
  • thiamine(1+) diphosphate
  • Charge: 1
  • Formula: C12H19N4O7P2S
CHEBI:9532
  • thiamine(1+) diphosphate
  • Type: Small Molecule
  • InChiKey: AYEKOFBPNLCAJY-UHFFFAOYSA-O
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 425.31[0]
  • SMILES: Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1[0]
  • Names: thiamin diphosphate[0], thiamin pyrophosphate[0], TPP[0], ThPP[0], thiamine diphosphate[0], 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium[0], thiamine-pyrophosphate[0], 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium[0], ThDP[0], thiamine pyrophosphate[0], 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium[0]
Data Sources: [0] CHEBI:9532 via ChEBI
Linkouts
Data Sources: [0] CHEBI:9532 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism