Difference between revisions of "CPD-9175"

Revision as of 18:55, 14 January 2021

common-name:
- 4α-methyl-5α-cholesta-7,24-dien-3β-ol
inchi-key:
- mupkqzrbzsoulx-sponxpensa-n
molecular-weight:
- 398.671
smiles:
- cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c)[c@h](cc=1)2)(c))cc[c@](c)34)))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7214 ==
+== Metabolite CPD-12860 ==
 * common-name:
-** (2s)-dihydrotricetin
+** 4&alpha;-methyl-5&alpha;-cholesta-7,24-dien-3&beta;-ol
-* smiles:
-** c3(c(c2(oc1(c=c(c=c(c=1c(c2)=o)o)[o-])))=cc(=c(c=3o)o)o)
 * inchi-key:
-** usqxpewrywrrjd-lbprgkrzsa-m
+** mupkqzrbzsoulx-sponxpensa-n
 * molecular-weight:
-** 303.248
+** 398.671
+* smiles:
+** cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c)[c@h](cc=1)2)(c))cc[c@](c)34)))
 == Reaction(s) known to consume the compound ==
-* [[RXN-7922]]
+* [[RXN-21833]]
+* [[RXN-21836]]
+* [[RXN11884]]
 == Reaction(s) known to produce the compound ==
+* [[RXN11884]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2s)-dihydrotricetin}}
+{{#set: common-name=4&alpha;-methyl-5&alpha;-cholesta-7,24-dien-3&beta;-ol}}
-{{#set: inchi-key=inchikey=usqxpewrywrrjd-lbprgkrzsa-m}}
+{{#set: inchi-key=inchikey=mupkqzrbzsoulx-sponxpensa-n}}
-{{#set: molecular-weight=303.248}}
+{{#set: molecular-weight=398.671}}