Difference between revisions of "CARBOXYMETHYL-HYDROXYPHENYLPROPCOA"

Latest revision as of 11:14, 18 March 2021

common-name:
- 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
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-]
inchi-key:
- dvsqfplmolprdu-acxvelpgsa-i
molecular-weight:
- 968.692

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7257 ==
+== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
 * common-name:
-** 3&alpha;,7&alpha;,12&alpha;-trihydroxy-24-oxo-5-&beta;-cholestanoyl coa
+** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
 * smiles:
-** cc(ccc(=o)c(c)c(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)[ch]4(cc[ch]5(c(c)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
+** 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-]
 * inchi-key:
-** awlxqjgpnlctlm-yfxotmpnsa-j
+** dvsqfplmolprdu-acxvelpgsa-i
 * molecular-weight:
-** 1210.128
+** 968.692
 == Reaction(s) known to consume the compound ==
-* [[2.3.1.176-RXN]]
+* [[RXN-905]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-902]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3&alpha;,7&alpha;,12&alpha;-trihydroxy-24-oxo-5-&beta;-cholestanoyl coa}}
+{{#set: common-name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
-{{#set: inchi-key=inchikey=awlxqjgpnlctlm-yfxotmpnsa-j}}
+{{#set: inchi-key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
-{{#set: molecular-weight=1210.128}}
+{{#set: molecular-weight=968.692}}