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thiamine diphosphate

PropertiesImage
MNX_IDMNXM256 Image of MNXM256
referencechebi:58937
formulaC12H16N4O7P2S
global charge-2
mol weight422.296
InChIKeyAYEKOFBPNLCAJY-UHFFFAOYSA-L
InChIInChI=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
SMILESCC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])[O-])=C2C)C=N1
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM256
SMILES (mnx)[CH3:1][C:8]1=[C:11]([CH2:3][CH2:4][O:22][P:25](=[O:20])([O-:21])[O:23][P:24](=[O:17])([OH:18])[OH:19])[S:26][CH:7]=[N+:16]1[CH2:6][C:10]1=[CH:5][N:14]=[C:9]([CH3:2])[NH:15][C:12]1=[NH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)86
in models (compartimentalized) 91
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-113547
reactomeM:R-ALL-113547
reactome:R-ALL-29480
reactomeM:R-ALL-29480
reactome:R-ALL-389589
reactomeM:R-ALL-389589
reactome:R-ALL-8878387
reactomeM:R-ALL-8878387
CHEBI:58937
chebi:58937
AYEKOFBPNLCAJY-UHFFFAOYSA-L
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
AYEKOFBPNLCAJY-UHFFFAOYSA-M
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
AYEKOFBPNLCAJY-UHFFFAOYSA-O
Thiamin diphosphate
TPP
ThPP
Thiamin pyrophosphate
Thiamine diphosphate

bigg.metabolite:thmpp
biggM:thmpp
AYEKOFBPNLCAJY-UHFFFAOYSA-L
Thiamine diphosphate

vmhM:thmpp
vmhmetabolite:thmpp
AYEKOFBPNLCAJY-UHFFFAOYSA-L
Thiamine diphosphate
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

sabiork.compound:1287
sabiorkM:1287
AYEKOFBPNLCAJY-UHFFFAOYSA-N
Thiamine diphosphate
TPP
ThPP
Thiamin diphosphate
Thiamin pyrophosphate
Thiamine pyrophosphate
hmdb:HMDB0001372
AYEKOFBPNLCAJY-UHFFFAOYSA-O
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

metacyc.compound:THIAMINE-PYROPHOSPHATE
metacycM:THIAMINE-PYROPHOSPHATE
AYEKOFBPNLCAJY-UHFFFAOYSA-L
thiamine diphosphate
TDP
TPP
ThPP
thiamin diphosphate
thiamin pyrophosphate
thiamin-PPi
thiamine pyrophosphate
thiamine-PPi

CHEBI:45931
chebi:45931
AYEKOFBPNLCAJY-UHFFFAOYSA-N
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
AYEKOFBPNLCAJY-UHFFFAOYSA-O
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:HMDB0062636
hmdb:HMDB01372
hmdb:HMDB62636
chebi:15229
chebi:45930
chebi:49939
biggM:M_thmpp
keggC:M_C00068
seedM:M_cpd00056
vmhM:M_thmpp
secondary/obsolete/fantasy identifier