HTL

2-ACETYL-THIAMINE DIPHOSPHATE

Find entries where: HTL

is present as a standalone ligand in 13 entries

Find related ligands:

Chemical Component Summary
Name	2-ACETYL-THIAMINE DIPHOSPHATE
Synonyms	2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZOLIUM INNER SALT P,P'-DIOXIDE
Identifiers	2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-ethanoyl-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Formula	C₁₄ H₂₁ N₄ O₈ P₂ S
Molecular Weight	467.351
Type	NON-POLYMER
Isomeric SMILES	Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O
InChI	InChI=1S/C14H20N4O8P2S/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/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
InChIKey	GYRGKLZCJRVYRV-UHFFFAOYSA-O

Chemical Details
Formal Charge	1
Atom Count	50
Chiral Atom Count	1
Bond Count	51
Aromatic Bond Count	11

Drug Info: DrugBank

DrugBank ID	DB02410 ?
Name	2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide
Groups	experimental
Synonyms	2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Pyruvate-flavodoxin oxidoreductase	MGKKMMTTDGNTATAHVAYAMSEVAAIYPITPSSTMGEEADDWAAQGRKN...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682