Difference between revisions of "3.1.26.4-RXN"

Revision as of 07:03, 9 October 2020

common-name:
- adenosyl-cob(iii)yrinate a,c-diamide
inchi-key:
- ocnljczkghkjgf-nqyrmhkhsa-h
molecular-weight:
- 1182.137
smiles:
- cc3(/c7(=[n+]8([co--]15([n+]4([c@@](c)([c@@h]2([c@h](cc(=o)[o-])[c@@](c)(ccc([o-])=o)c(/n12)=3))[c@@](c)(cc(n)=o)[c@h](ccc([o-])=o)c=4c(\c)=c6([c@@](c)(cc(n)=o)[c@h](ccc([o-])=o)c(=[n+]56)c=c(c(c)(c)[c@h](ccc([o-])=o)7)8)))(c[c@h]9([c@h]([c@@h](o)[c@@h](o9)n%10(c=nc%11(c(=nc=nc%10=%11)n)))o)))))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite NICOTINAMIDE_RIBOSE ==
+== Metabolite CPD-690 ==
 * common-name:
-** 1-(&beta;-d ribofuranosyl)nicotinamide
+** adenosyl-cob(iii)yrinate a,c-diamide
 * inchi-key:
-** jlebzpbdrkpwtd-turqnecasa-o
+** ocnljczkghkjgf-nqyrmhkhsa-h
 * molecular-weight:
-** 255.25
+** 1182.137
 * smiles:
-** c(o)[c@h]1([c@@h](o)[c@@h](o)[c@@h](o1)[n+]2(c=cc=c(c(=o)n)c=2))
+** cc3(/c7(=[n+]8([co--]15([n+]4([c@@](c)([c@@h]2([c@h](cc(=o)[o-])[c@@](c)(ccc([o-])=o)c(/n12)=3))[c@@](c)(cc(n)=o)[c@h](ccc([o-])=o)c=4c(\c)=c6([c@@](c)(cc(n)=o)[c@h](ccc([o-])=o)c(=[n+]56)c=c(c(c)(c)[c@h](ccc([o-])=o)7)8)))(c[c@h]9([c@h]([c@@h](o)[c@@h](o9)n%10(c=nc%11(c(=nc=nc%10=%11)n)))o)))))
 == Reaction(s) known to consume the compound ==
+* [[R345-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-5841]]
+* [[R344-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1-(&beta;-d ribofuranosyl)nicotinamide}}
+{{#set: common-name=adenosyl-cob(iii)yrinate a,c-diamide}}
-{{#set: inchi-key=inchikey=jlebzpbdrkpwtd-turqnecasa-o}}
+{{#set: inchi-key=inchikey=ocnljczkghkjgf-nqyrmhkhsa-h}}
-{{#set: molecular-weight=255.25}}
+{{#set: molecular-weight=1182.137}}