Difference between revisions of "CPD-714"

Latest revision as of 11:14, 18 March 2021

common-name:
- cathasterone
smiles:
- cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- jsvpgvhceqdjcz-vgehdtswsa-n
molecular-weight:
- 432.685

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7257 ==
+== Metabolite CPD-714 ==
 * common-name:
-** 3&alpha;,7&alpha;,12&alpha;-trihydroxy-24-oxo-5-&beta;-cholestanoyl coa
+** cathasterone
 * smiles:
-** cc(ccc(=o)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)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
+** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** awlxqjgpnlctlm-yfxotmpnsa-j
+** jsvpgvhceqdjcz-vgehdtswsa-n
 * molecular-weight:
-** 1210.128
+** 432.685
 == Reaction(s) known to consume the compound ==
-* [[2.3.1.176-RXN]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-715]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3&alpha;,7&alpha;,12&alpha;-trihydroxy-24-oxo-5-&beta;-cholestanoyl coa}}
+{{#set: common-name=cathasterone}}
-{{#set: inchi-key=inchikey=awlxqjgpnlctlm-yfxotmpnsa-j}}
+{{#set: inchi-key=inchikey=jsvpgvhceqdjcz-vgehdtswsa-n}}
-{{#set: molecular-weight=1210.128}}
+{{#set: molecular-weight=432.685}}