2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole
public_id
FDB030328
IUPAC 名称
5-(2-{[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}ethyl)-4-methyl-1,3-thiazole-2-carboxylate
描述
2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole can be found in a number of food items such as chinese mustard, garden rhubarb, oyster mushroom, and black elderberry, which makes 2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole a potential biomarker for the consumption of these food products.
CAS号
异构
CC1=C(CCOP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)SC(=N1)C([O-])=O
InChI标识符
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
VGXBGQACJQRWLV-UHFFFAOYSA-K
平均分子量
593.027335986
id
30491
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