Difference between revisions of "CPD-13888"

Latest revision as of 11:12, 18 March 2021

common-name:
- (25s)-26-oxocholest-4-en-3-one
smiles:
- cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- bggfpzprxrjkgg-nyjsjaolsa-n
molecular-weight:
- 398.628

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9898 ==
+== Metabolite CPD-13888 ==
 * common-name:
-** 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate
+** (25s)-26-oxocholest-4-en-3-one
 * smiles:
-** cc(c)=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=ccc1(=c(c(oc)=cc(c([o-])=o)=c1)o))c)c)c)c)c)c)c)c
+** cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** fdppbyxdoxrdha-jsgwljpksa-m
+** bggfpzprxrjkgg-nyjsjaolsa-n
 * molecular-weight:
-** 780.205
+** 398.628
 == Reaction(s) known to consume the compound ==
+* [[RXN-12849]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-9281]]
+* [[RXN-12850]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate}}
+{{#set: common-name=(25s)-26-oxocholest-4-en-3-one}}
-{{#set: inchi-key=inchikey=fdppbyxdoxrdha-jsgwljpksa-m}}
+{{#set: inchi-key=inchikey=bggfpzprxrjkgg-nyjsjaolsa-n}}
-{{#set: molecular-weight=780.205}}
+{{#set: molecular-weight=398.628}}