Difference between revisions of "CPD-19489"

Revision as of 15:27, 5 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 CPD-6741 ==
+== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
 * common-name:
-** d-myo-inositol (1,2,3,5,6) pentakisphosphate
+** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
 * smiles:
-** c1(o)(c(op(=o)([o-])[o-])c(op([o-])(=o)[o-])c(op([o-])([o-])=o)c(op(=o)([o-])[o-])c(op(=o)([o-])[o-])1)
+** 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:
-** ctpqaxvnygzuaj-uotptpdrsa-d
+** dvsqfplmolprdu-acxvelpgsa-i
 * molecular-weight:
-** 569.977
+** 968.692
 == Reaction(s) known to consume the compound ==
+* [[RXN-905]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7241]]
+* [[RXN-902]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=d-myo-inositol (1,2,3,5,6) pentakisphosphate}}
+{{#set: common-name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
-{{#set: inchi-key=inchikey=ctpqaxvnygzuaj-uotptpdrsa-d}}
+{{#set: inchi-key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
-{{#set: molecular-weight=569.977}}
+{{#set: molecular-weight=968.692}}