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2-(1-hydroxyethyl)thiamine diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1705

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	6

formula

C₁₄H₂₀N₄O₈P₂S

charge

-2

mass

466.04881

reference

chebi:58939

InChIKey

RRUVJGASJONMDY-UHFFFAOYSA-L

InChI

InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p-2

SMILES

Cc1ncc(C[n+]2c(C(C)O)sc(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
CHEBI:58939 chebi:58939	2-(1-hydroxyethyl)thiamine diphosphate 2-(1-hydroxyethyl)thiamine diphosphate dianion 2-(1-hydroxyethyl)thiamine diphosphate(2-) 2-(1-hydroxyethyl)thiamine(1+) diphosphate(3-) 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-5-(2-diphosphonatoethyl)-4-methyl-1,3-thiazol-3-ium
CHEBI:978 chebi:978	2-(1-hydroxyethyl)thiamine diphosphate 2-(alpha-Hydroxyethyl)thiamine diphosphate 2-Hydroxyethyl-ThPP 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-5-(2-diphosphoethyl)-4-methyl-1,3-thiazol-3-ium
hmdb:HMDB0003904	2-(a-Hydroxyethyl)thiamine diphosphate 2-(a-Hydroxyethyl)thiamine diphosphoric acid 2-(alpha-Hydroxyethyl)thiamine diphosphate 2-(alpha-Hydroxyethyl)thiamine diphosphoric acid 2-(alpha-hydroxyethyl)thiamine diphosphate 2-(alpha-hydroxyethyl)thiamine diphosphoric acid 2-Hydroxyethyl-THPP 2-Hydroxyethyl-ThPP 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)- p,p'-dioxide 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-5-(2-hydroxyethyl)-4-methyl- 5-(trihydrogen pyrophosphate) (8ci) 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium Thiazolium
bigg.metabolite:2ahethmpp biggM:2ahethmpp	2-(alpha-Hydroxyethyl)thiamine diphosphate
sabiork.compound:1839 sabiorkM:1839 kegg.compound:C05125 keggC:C05125	2-(alpha-Hydroxyethyl)thiamine diphosphate 2-Hydroxyethyl-ThPP
metacyc.compound:2-ALPHA-HYDROXYETHYL-THPP metacycM:2-ALPHA-HYDROXYETHYL-THPP	2-(alpha-hydroxyethyl)thiamine diphosphate 2-(alpha-hydroxyethyl)-TPP 2-(alpha-hydroxyethyl)-ThPP
seed.compound:cpd03049 seedM:cpd03049	2-Hydroxyethyl-ThPP 2-(alpha-Hydroxyethyl)thiamine diphosphate 2-(alpha-hydroxyethyl)-TPP 2-(alpha-hydroxyethyl)-ThPP 2-(alpha-hydroxyethyl)thiamine diphosphate
hmdb:HMDB03904 biggM:M_2ahethmpp keggC:M_C05125 seedM:M_cpd03049	secondary/obsolete/fantasy identifier