Difference between revisions of "CPD-10589"

Latest revision as of 11:17, 18 March 2021

common-name:
- (24e)-3α,7α-dihydroxy-5β-cholest-24-enoyl-coa
smiles:
- cc(ccc=c(c)c(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)[ch]4(cc[ch]5(c(c)4cc[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
inchi-key:
- sebzzawtqnngpk-rdymgnodsa-j
molecular-weight:
- 1178.129

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11408 ==
+== Metabolite CPD-10589 ==
 * common-name:
-** triiodothyronine sulfate
+** (24e)-3&alpha;,7&alpha;-dihydroxy-5&beta;-cholest-24-enoyl-coa
 * smiles:
-** c2(c=c(os(=o)(=o)[o-])c(=cc(oc1(c(=cc(=cc(i)=1)cc(c(=o)[o-])[n+])i))=2)i)
+** cc(ccc=c(c)c(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)[ch]4(cc[ch]5(c(c)4cc[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
 * inchi-key:
-** xbqyqxvjbndcgy-lbprgkrzsa-m
+** sebzzawtqnngpk-rdymgnodsa-j
 * molecular-weight:
-** 730.028
+** 1178.129
 == Reaction(s) known to consume the compound ==
+* [[RXN-9847]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10615]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=triiodothyronine sulfate}}
+{{#set: common-name=(24e)-3&alpha;,7&alpha;-dihydroxy-5&beta;-cholest-24-enoyl-coa}}
-{{#set: inchi-key=inchikey=xbqyqxvjbndcgy-lbprgkrzsa-m}}
+{{#set: inchi-key=inchikey=sebzzawtqnngpk-rdymgnodsa-j}}
-{{#set: molecular-weight=730.028}}
+{{#set: molecular-weight=1178.129}}