Difference between revisions of "CPD-224"

Revision as of 13:10, 14 January 2021

common-name:
- cathasterone
smiles:
- cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- jsvpgvhceqdjcz-vgehdtswsa-n
molecular-weight:
- 432.685

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-6741 ==
+== Metabolite CPD-714 ==
 * common-name:
-** d-myo-inositol (1,2,3,5,6) pentakisphosphate
+** cathasterone
 * 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)
+** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** ctpqaxvnygzuaj-uotptpdrsa-d
+** jsvpgvhceqdjcz-vgehdtswsa-n
 * molecular-weight:
-** 569.977
+** 432.685
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-7241]]
+* [[RXN-715]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=d-myo-inositol (1,2,3,5,6) pentakisphosphate}}
+{{#set: common-name=cathasterone}}
-{{#set: inchi-key=inchikey=ctpqaxvnygzuaj-uotptpdrsa-d}}
+{{#set: inchi-key=inchikey=jsvpgvhceqdjcz-vgehdtswsa-n}}
-{{#set: molecular-weight=569.977}}
+{{#set: molecular-weight=432.685}}