Difference between revisions of "CPD-23709"

Revision as of 15:29, 5 January 2021

common-name:
- stigmasterol
smiles:
- ccc(c(c)c)c=cc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- hcxvjbmsmiarin-phzdydngsa-n
molecular-weight:
- 412.698

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8122 ==
+== Metabolite CPD-4162 ==
 * common-name:
-** molybdopterin adenine dinucleotide
+** stigmasterol
 * smiles:
-** c(c3(c(c(c(n2(c1(=c(c(=nc=n1)n)n=c2)))o3)o)o))op(op([o-])(=o)occ5(o[ch]4(nc6(n=c(nc(=o)c(n[ch]4c(=c5[s-])s)=6)n))))(=o)[o-]
+** ccc(c(c)c)c=cc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** xjxfaxluokqpaq-yprlvjtjsa-k
+** hcxvjbmsmiarin-phzdydngsa-n
 * molecular-weight:
-** 721.529
+** 412.698
 == Reaction(s) known to consume the compound ==
-* [[RXN-8348]]
+* [[RXN-12126]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-8344]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=molybdopterin adenine dinucleotide}}
+{{#set: common-name=stigmasterol}}
-{{#set: inchi-key=inchikey=xjxfaxluokqpaq-yprlvjtjsa-k}}
+{{#set: inchi-key=inchikey=hcxvjbmsmiarin-phzdydngsa-n}}
-{{#set: molecular-weight=721.529}}
+{{#set: molecular-weight=412.698}}