ADP-5-ethyl-4-methylthiazole-2-carboxylate

Chemical Formula:

C₁₇H₁₉N₆O₁₂P₂S

Molecular Weight:

593.378 Daltons

Monoisotopic Mass:

596.0491639126 Daltons

SMILES:

CC4(=C(CCOP([O-])(=O)OP([O-])(=O)OCC3(OC(N2(C1(=NC=NC(N)=C1N=C2)))C(O)C(O)3))SC(C(=O)[O-])=N4)

InChI:

1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/p-3/t8-,11-,12-,16-/m1/s1

InChIKey:

VGXBGQACJQRWLV-LKGUXBDMSA-K

Synonyms

AHZ
adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid
ADT
adenylated thiazole
2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole

Databases

MetaCyc: CPDQT-400

ChEBI: 139151

PubChem (CID): 5287651

Seed: cpd26630

MetaNetX: MNXM722955

KEGG: C20784