Difference between revisions of "CPD-11520"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)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-])=o)
inchi-key:
- yyccmactoajggw-ozvhgmpnsa-j
molecular-weight:
- 1053.904

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-3187 ==
+== Metabolite CPD-11520 ==
 * common-name:
-** 2'-hydroxynicotine
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa
 * smiles:
-** c1(ccc(o)([n+](c)1)c2(=cn=cc=c2))
+** ccc=ccc1(c(ccc(=o)1)cccccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)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-])=o)
 * inchi-key:
-** boqrppfuushfgw-snvbaglbsa-o
+** yyccmactoajggw-ozvhgmpnsa-j
 * molecular-weight:
-** 179.241
+** 1053.904
 == Reaction(s) known to consume the compound ==
+* [[RXN-10699]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-146]]
+* [[RXN-10698]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2'-hydroxynicotine}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa}}
-{{#set: inchi-key=inchikey=boqrppfuushfgw-snvbaglbsa-o}}
+{{#set: inchi-key=inchikey=yyccmactoajggw-ozvhgmpnsa-j}}
-{{#set: molecular-weight=179.241}}
+{{#set: molecular-weight=1053.904}}