Difference between revisions of "CPD-12850"

Latest revision as of 11:13, 18 March 2021

common-name:
- 4α,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol
inchi-key:
- xzeuytksaynypk-wxpwfurysa-n
molecular-weight:
- 412.698
smiles:
- cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@]4(c)([c@h]1(cc[c@@h]5([c@h](c)[c@@h](o)cc[c@@]2(c[c@@]12cc[c@](c)34)5))))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-6661 ==
+== Metabolite CPD-12850 ==
 * common-name:
-** 1d-myo-inositol (1,2,3,4,6)-pentakisphosphate
+** 4&alpha;,14&alpha;-dimethyl-9&beta;,19-cyclo-5&alpha;-cholest-24-en-3&beta;-ol
-* smiles:
-** c1(o)(c(op([o-])(=o)[o-])c(op([o-])([o-])=o)c(op([o-])([o-])=o)c(op(=o)([o-])[o-])c(op(=o)([o-])[o-])1)
 * inchi-key:
-** ctpqaxvnygzuaj-qwbqgljisa-d
+** xzeuytksaynypk-wxpwfurysa-n
 * molecular-weight:
-** 569.977
+** 412.698
+* smiles:
+** cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@]4(c)([c@h]1(cc[c@@h]5([c@h](c)[c@@h](o)cc[c@@]2(c[c@@]12cc[c@](c)34)5))))
 == Reaction(s) known to consume the compound ==
-* [[RXN-7186]]
+* [[RXN-11876]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7186]]
+* [[RXN-21831]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1d-myo-inositol (1,2,3,4,6)-pentakisphosphate}}
+{{#set: common-name=4&alpha;,14&alpha;-dimethyl-9&beta;,19-cyclo-5&alpha;-cholest-24-en-3&beta;-ol}}
-{{#set: inchi-key=inchikey=ctpqaxvnygzuaj-qwbqgljisa-d}}
+{{#set: inchi-key=inchikey=xzeuytksaynypk-wxpwfurysa-n}}
-{{#set: molecular-weight=569.977}}
+{{#set: molecular-weight=412.698}}