Difference between revisions of "CPD-10806"

Revision as of 19:01, 17 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:
- inchikey=dvsqfplmolprdu-acxvelpgsa-i
molecular_weight:
- 968.692

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-UREIDO-PROPIONATE ==
+== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
-* common-name:
+* common_name:
-** 3-ureidopropanoate
+** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
-* molecular-weight:
-** 131.111
-* inchi-key:
-** jsjwchryrhkbbw-uhfffaoysa-m
 * smiles:
-** c(nc(=o)n)cc([o-])=o
+** 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:
+** inchikey=dvsqfplmolprdu-acxvelpgsa-i
+* molecular_weight:
+** 968.692
 == Reaction(s) known to consume the compound ==
-* [[BETA-UREIDOPROPIONASE-RXN]]
+* [[RXN-905]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-902]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-ureidopropanoate}}
+{{#set: common_name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
-{{#set: molecular-weight=131.111}}
+{{#set: inchi_key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
-{{#set: inchi-key=inchikey=jsjwchryrhkbbw-uhfffaoysa-m}}
+{{#set: molecular_weight=968.692    }}