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-14278 ==
+== Metabolite CPD-13888 ==
 * common-name:
-** (3r)-3-hydroxy-cerotoyl-coa
+** (25s)-26-oxocholest-4-en-3-one
 * smiles:
-** cccccccccccccccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** gbmjotouuwgtia-cslactsssa-j
+** bggfpzprxrjkgg-nyjsjaolsa-n
 * molecular-weight:
-** 1158.182
+** 398.628
 == Reaction(s) known to consume the compound ==
-* [[RXN-13305]]
+* [[RXN-12849]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13301]]
+* [[RXN-12850]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3r)-3-hydroxy-cerotoyl-coa}}
+{{#set: common-name=(25s)-26-oxocholest-4-en-3-one}}
-{{#set: inchi-key=inchikey=gbmjotouuwgtia-cslactsssa-j}}
+{{#set: inchi-key=inchikey=bggfpzprxrjkgg-nyjsjaolsa-n}}
-{{#set: molecular-weight=1158.182}}
+{{#set: molecular-weight=398.628}}