Small Molecule thiamine-diphosphate

URN urn:agi-cas:136-09-4
Connectivity 51
Name thiamine-diphosphate

Pathway Tricarboxylic acid cycle
Glucose metabolism
Pentose-phosphate shunt
Tryptophan metabolism
Branched chain amino acids metabolism
Lysine metabolsm
Alanine metabolism
pyruvate metabolic pathway
pyruvate metabolic pathway

IUPAC Name [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride

InChIKey AYEKOFBPNLCAJY-UHFFFAOYSA-N
YXVCLPJQTZXJLH-UHFFFAOYSA-N

Rotatable Bond Count 8

MedScan ID 1227754

ChEBI ID 9532
18290
45931

Molecular Weight 424.306442
460.767382

CAS ID 154-87-0
55056-45-6
74992-00-0
902463-63-2
12318-71-7
136-09-4
495-24-9

KEGG ID C00068

Alias [2-[[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-3H-thiazol-5-yl]]ethoxy-hydroxy-phosphinoyl]oxyphosphonic acid chloride
[35S]thiamin pyrophosphate
[35S]thiamine pyrophosphate
2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazoniol-5-yl)ethyl dihydrogen diphosphate
4-amino-5-[[5-[2-[hydroxy-(hydroxy-oxido-phosphinoyl)oxy-phosphinoyl]oxyethyl]-4-methyl-3H-thiazol-3-yl]methyl]-2-methyl-pyrimidine
AI3-63012
Berolase
Biosyth
Bioxylasi
Bivitasi
B-Neurox
cobalt-bismuthide
Cocarbina
Cocarboxil
Cocarboxilasa
Cocarboxylase
Cocarboxylasum
Coenbione
Coenzymate
Coxylase
Diphosphothiamin
Diphosphothiamine
EINECS 205-230-7
EINECS 205-836-1
Farmaneurina
Metabolase
Nutrase
Pyrolase
Pyrophosphoric ester of thiamine
Pyruvodehydrase
TDP (thiamin ester)
Thaimine pyrophosphate
ThDP
thiamin diphosphate
thiamin pyrophosphate
Thiamine diphosphate
Thiamine pyrophosphate
Thiamine pyrophosphate chloride
Thiamine pyrophosphoric ester
Thiamine, trihydrogen pyrophosphate (ester)
Thiaminediphosphate
Thiamine-PP
Thiaminepyrophosphate
thiamin-P2
thiamin-PP
Thiaminpyrophosphate
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide, tetrahydrate
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, hydroxide, inner salt, P,P'-dioxide
Thiazolium, 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)-, chloride
Thiazolium, 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)-, inner salt
thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, p,p'-dioxide
thpp
TPP (coenzyme)
Thiamine pyrophosphic acid
thiamin-PPi
thiamine-PPi
12318-71-7
136-09-4
495-24-9

PubChem SID 152252
209395

PubChem CID 9068
5431
1132

XLogP -1.200000

Molecular Formula C12H18N4O7P2S
C12H19ClN4O7P2S

ChemIDplus ID 000136094

Source ChemIDplus

LinkUrl http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5431