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thiamine diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM256

	#reac
in my sandbox	0
in MNXref (generic)	80
in models (compartimentalized)	93

formula

C₁₂H₁₆N₄O₇P₂S

charge

-2

mass

422.02259

reference

chebi:58937

InChIKey

AYEKOFBPNLCAJY-UHFFFAOYSA-L

InChI

InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p-2

SMILES

Cc1ncc(C[n+]2csc(CCOP(=O)([O-])OP(=O)([O-])[O-])c2C)c(N)n1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-113547 reactomeM:R-ALL-113547 reactome:R-ALL-29480 reactomeM:R-ALL-29480 reactome:R-ALL-389589 reactomeM:R-ALL-389589 CHEBI:58937 chebi:58937	thiamine diphosphate 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[oxido(phosphonatooxy)phosphoryl]oxy}ethyl)-1,3-thiazol-3-ium thiamin pyrophosphate thiamin pyrophosphate(2-) thiamine diphosphate dianion thiamine diphosphate(2-) thiamine pyrophosphate dianion thiamine pyrophosphate(2-) thiamine(1+) diphosphate(3-)
seed.compound:cpd00056 seedM:cpd00056	TPP TDP ThPP Thiamin diphosphate Thiamin pyrophosphate Thiamine diphosphate Thiaminediphosphate thiamin diphosphate thiamin pyrophosphate thiamin-PPi thiamine diphosphate thiamine pyrophosphate thiamine-PPi thmpp
kegg.compound:C00068 keggC:C00068	Thiamin diphosphate TPP ThPP Thiamin pyrophosphate Thiamine diphosphate
bigg.metabolite:thmpp biggM:thmpp	Thiamine diphosphate
sabiork.compound:1287 sabiorkM:1287	Thiamine diphosphate TPP ThPP Thiamin diphosphate Thiamin pyrophosphate Thiamine pyrophosphate
hmdb:HMDB0001372	Thiamine pyrophosphate 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium Berolase Cocarboxylase Pyrophosphate, thiamine THPP TPP Thaimine pyrophosphate Thiamin diphosphate Thiamin diphosphoric acid Thiamin pyrophosphate Thiamin pyrophosphoric acid Thiamin-ppi Thiamine diphosphate Thiamine diphosphoric acid Thiamine pyrophosphoric acid Thiamine-ppi Thiamine-pyrophosphate thiamin pyrophosphate
hmdb:HMDB0062636	Thiamine(1+) Diphosphate(1-) 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium Berolase Cocarboxylase Pyrophosphate, thiamine THIAMIN diphosphATE THIAMIN diphosphoric acid THIAMINE diphosphATE THIAMINE diphosphoric acid Thiamin pyrophosphate Thiamin pyrophosphoric acid Thiamine pyrophosphate Thiamine pyrophosphoric acid Thiamine(1+) diphosphoric acid(1-) thiamin diphosphate
metacyc.compound:THIAMINE-PYROPHOSPHATE metacycM:THIAMINE-PYROPHOSPHATE	thiamine diphosphate TDP TPP ThPP thiamin diphosphate thiamin pyrophosphate thiamin-PPi thiamine pyrophosphate thiamine-PPi
CHEBI:45931 chebi:45931	thiamine(1+) diphosphate(1-) 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl dihydrogen diphosphate thiamin diphosphate thiamin pyrophosphate thiamine diphosphate thiamine pyrophosphate
CHEBI:9532 chebi:9532	thiamine(1+) diphosphate 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 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium TPP ThDP ThPP thiamin diphosphate thiamin pyrophosphate thiamine diphosphate thiamine pyrophosphate thiamine-pyrophosphate
hmdb:HMDB01372 hmdb:HMDB62636 chebi:15229 chebi:45930 chebi:49939 biggM:M_thmpp keggC:M_C00068 seedM:M_cpd00056	secondary/obsolete/fantasy identifier