Difference between revisions of "CPD-19489"

Latest revision as of 11:14, 18 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
+== Metabolite CPD-19489 ==
 * common-name:
-** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
+** 3-isopropyl-8-(methylthio)-2-oxooctanoate
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(c(cc([o-])=o)c(o)c1(=cc=cc=c1))=o)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
+** cscccccc(c(=o)c(=o)[o-])c(=o)[o-]
 * inchi-key:
-** dvsqfplmolprdu-acxvelpgsa-i
+** yobcouzbifvtfn-uhfffaoysa-l
 * molecular-weight:
-** 968.692
+** 246.278
 == Reaction(s) known to consume the compound ==
-* [[RXN-905]]
+* [[RXN-18204]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-902]]
+* [[RXN-18204]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
+{{#set: common-name=3-isopropyl-8-(methylthio)-2-oxooctanoate}}
-{{#set: inchi-key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
+{{#set: inchi-key=inchikey=yobcouzbifvtfn-uhfffaoysa-l}}
-{{#set: molecular-weight=968.692}}
+{{#set: molecular-weight=246.278}}