Difference between revisions of "SJ06922"

Revision as of 09:23, 27 August 2019

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 [http://metacyc.org/META/NEW-IMAGE?object=CPD-13172 CPD-13172] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13888 CPD-13888] ==
 * common-name:
-** 6-hydroxy-2-cyclohexen-one-carboxylate
+** (25s)-26-oxocholest-4-en-3-one
 * smiles:
-** c(=o)(c1(o)(c=cccc(=o)1))[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:
-** wezwwzkubqcmbl-uhfffaoysa-m
+** bggfpzprxrjkgg-nyjsjaolsa-n
 * molecular-weight:
-** 155.13
+** 398.628
 == Reaction(s) known to consume the compound ==
+* [[RXN-12849]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12252]]
+* [[RXN-12850]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=6-hydroxy-2-cyclohexen-one-carboxylate}}
+{{#set: common-name=(25s)-26-oxocholest-4-en-3-one}}
-{{#set: inchi-key=inchikey=wezwwzkubqcmbl-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=bggfpzprxrjkgg-nyjsjaolsa-n}}
-{{#set: molecular-weight=155.13}}
+{{#set: molecular-weight=398.628}}