Difference between revisions of "CPD-10806"

Latest revision as of 19:34, 17 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
+== Metabolite CPD-10806 ==
-* common_name:
+* common-name:
-** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
+** 4-hydroxy-2-nonenal
+* molecular-weight:
+** 156.224
+* inchi-key:
+** jvjfiqyahpmbbx-fnorwqnlsa-n
 * 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-]
+** cccccc(o)[ch]=cc=o
-* inchi_key:
-** inchikey=dvsqfplmolprdu-acxvelpgsa-i
-* molecular_weight:
-** 968.692
 == Reaction(s) known to consume the compound ==
-* [[RXN-905]]
+* [[RXN-13673]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-902]]
 == Reaction(s) of unknown directionality ==
-{{#set: common_name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
+{{#set: common-name=4-hydroxy-2-nonenal}}
-{{#set: inchi_key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
+{{#set: molecular-weight=156.224}}
-{{#set: molecular_weight=968.692    }}
+{{#set: inchi-key=inchikey=jvjfiqyahpmbbx-fnorwqnlsa-n}}