Difference between revisions of "CPD-15368"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3-oxo-lesqueroloyl-coa
smiles:
- ccccccc(o)cc=ccccccccc(=o)cc(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:
- nqxrrzbozbkgiu-mhaufedzsa-j
molecular-weight:
- 1085.989

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-4184 ==
+== Metabolite CPD-15368 ==
 * common-name:
-** 4&alpha;-methyl-cholesta-8-enol
+** 3-oxo-lesqueroloyl-coa
 * smiles:
-** cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)c(c)c(o)cc3)))cc4)))c
+** ccccccc(o)cc=ccccccccc(=o)cc(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:
-** scezihjvtbqols-yijygbtnsa-n
+** nqxrrzbozbkgiu-mhaufedzsa-j
 * molecular-weight:
-** 400.687
+** 1085.989
 == Reaction(s) known to consume the compound ==
+* [[RXN-14493]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-19]]
+* [[RXN-14492]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4&alpha;-methyl-cholesta-8-enol}}
+{{#set: common-name=3-oxo-lesqueroloyl-coa}}
-{{#set: inchi-key=inchikey=scezihjvtbqols-yijygbtnsa-n}}
+{{#set: inchi-key=inchikey=nqxrrzbozbkgiu-mhaufedzsa-j}}
-{{#set: molecular-weight=400.687}}
+{{#set: molecular-weight=1085.989}}