Difference between revisions of "CPD1G-1345"

Revision as of 11:16, 15 January 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 D-GLUCURONOLACTONE ==
+== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
 * common-name:
-** d-glucurono-6,3-lactone
+** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
 * smiles:
-** c1(=o)(c(o)c(o)[ch](c(o)c=o)o1)
+** 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:
-** uyuxsradsppkrz-sknvomklsa-n
+** dvsqfplmolprdu-acxvelpgsa-i
 * molecular-weight:
-** 176.126
+** 968.692
 == Reaction(s) known to consume the compound ==
-* [[RXN-14225]]
+* [[RXN-905]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-902]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=d-glucurono-6,3-lactone}}
+{{#set: common-name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
-{{#set: inchi-key=inchikey=uyuxsradsppkrz-sknvomklsa-n}}
+{{#set: inchi-key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
-{{#set: molecular-weight=176.126}}
+{{#set: molecular-weight=968.692}}