Difference between revisions of "CPD1G-768"

Revision as of 18:53, 14 January 2021

common-name:
- 5α-cholesta-8-en-3-one
smiles:
- cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)cc(=o)cc3)))cc4)))c
inchi-key:
- rzsxshnnqbiptl-zsbatxslsa-n
molecular-weight:
- 384.644

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite SIROHYDROCHLORIN ==
+== Metabolite CPD-8620 ==
 * common-name:
-** sirohydrochlorin
+** 5&alpha;-cholesta-8-en-3-one
 * smiles:
-** cc2(cc(=o)[o-])(c1(=cc5(=nc(=cc4(nc(c=c3(n=c(c=c(n1)c(ccc(=o)[o-])2)c(cc(=o)[o-])=c(ccc(=o)[o-])3))=c(ccc(=o)[o-])c(cc(=o)[o-])=4))c(c)(cc(=o)[o-])c(ccc(=o)[o-])5)))
+** cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)cc(=o)cc3)))cc4)))c
 * inchi-key:
-** kwizrxmmfrbuml-ahgfgahvsa-f
+** rzsxshnnqbiptl-zsbatxslsa-n
 * molecular-weight:
-** 854.779
+** 384.644
 == Reaction(s) known to consume the compound ==
-* [[4.99.1.3-RXN]]
+* [[RXN66-24]]
-* [[SIROHEME-FERROCHELAT-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[DIMETHUROPORDEHYDROG-RXN]]
+* [[RXN66-23]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=sirohydrochlorin}}
+{{#set: common-name=5&alpha;-cholesta-8-en-3-one}}
-{{#set: inchi-key=inchikey=kwizrxmmfrbuml-ahgfgahvsa-f}}
+{{#set: inchi-key=inchikey=rzsxshnnqbiptl-zsbatxslsa-n}}
-{{#set: molecular-weight=854.779}}
+{{#set: molecular-weight=384.644}}