Showing Metabocard for 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate (BASm0004381)

Not AvailableNot AvailableNot Available
Common Name2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate
Description2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate, also known as cthz-P, belongs to thiazolecarboxylic acids and derivatives class of compounds. Those are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof). 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate can be found in a number of food items such as rubus (blackberry, raspberry), triticale, fenugreek, and cloudberry, which makes 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate a potential biomarker for the consumption of these food products.
Structure
Molecular FormulaC7H7NO6PS
Average Mass264.17000
Monoisotopic Mass263.97482
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESCc1nc(C(=O)[O-])sc1CCOP(=O)([O-])[O-]
InChI IdentifierInChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)/p-3
InChI KeyXWECMAHAKFWYNV-UHFFFAOYSA-K
CHEBI IDCHEBI:62890
HMDB IDHMDB0304049
StateNot Available
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

We require the use of cookies for essential features like storing your previously submitted BASys2 queries. Rejecting the usage of cookies will result in certain features being disabled. By clicking ACCEPT or continuing to use the website you are agreeing to our use of cookies.

ACCEPT