Difference between revisions of "CPD-695"

Latest revision as of 11:13, 18 March 2021

common-name:
- gibberellin a53
smiles:
- c=c1(c2(o)(cc3(c1)(c([ch]4(c(c)(cccc(c)([ch](cc2)3)4)c([o-])=o))c([o-])=o)))
inchi-key:
- czemyyicwzpenf-voltxkgxsa-l
molecular-weight:
- 346.422

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11520 ==
+== Metabolite CPD-695 ==
 * common-name:
-** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa
+** gibberellin a53
 * 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)
+** c=c1(c2(o)(cc3(c1)(c([ch]4(c(c)(cccc(c)([ch](cc2)3)4)c([o-])=o))c([o-])=o)))
 * inchi-key:
-** yyccmactoajggw-ozvhgmpnsa-j
+** czemyyicwzpenf-voltxkgxsa-l
 * molecular-weight:
-** 1053.904
+** 346.422
 == Reaction(s) known to consume the compound ==
-* [[RXN-10699]]
+* [[RXN1F-167]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10698]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa}}
+{{#set: common-name=gibberellin a53}}
-{{#set: inchi-key=inchikey=yyccmactoajggw-ozvhgmpnsa-j}}
+{{#set: inchi-key=inchikey=czemyyicwzpenf-voltxkgxsa-l}}
-{{#set: molecular-weight=1053.904}}
+{{#set: molecular-weight=346.422}}