Difference between revisions of "CPD-15364"

Latest revision as of 11:12, 18 March 2021

common-name:
- ricinoleoyl-coa
smiles:
- ccccccc(o)cc=ccccccccc(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
inchi-key:
- bhvzcckrrpyxcv-mgnvxpimsa-j
molecular-weight:
- 1043.952

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13081 ==
+== Metabolite CPD-15364 ==
 * common-name:
-** solasodine 3-o-&beta;-d-glucoside
+** ricinoleoyl-coa
 * smiles:
-** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c7(c(c)5ccc(oc6(oc(co)c(o)c(o)c(o)6))c7))))))
+** ccccccc(o)cc=ccccccccc(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
 * inchi-key:
-** xmlljghzphtukk-kjnrmupvsa-n
+** bhvzcckrrpyxcv-mgnvxpimsa-j
 * molecular-weight:
-** 575.784
+** 1043.952
 == Reaction(s) known to consume the compound ==
+* [[RXN-14492]]
+* [[RXN-16151]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12123]]
+* [[RXN-16151]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=solasodine 3-o-&beta;-d-glucoside}}
+{{#set: common-name=ricinoleoyl-coa}}
-{{#set: inchi-key=inchikey=xmlljghzphtukk-kjnrmupvsa-n}}
+{{#set: inchi-key=inchikey=bhvzcckrrpyxcv-mgnvxpimsa-j}}
-{{#set: molecular-weight=575.784}}
+{{#set: molecular-weight=1043.952}}