Difference between revisions of "CPD-941"

Revision as of 18:59, 14 January 2021

common-name:
- 4,4-dimethyl-cholesta-8,14,24-trienol
smiles:
- cc(c)=cccc([ch]1(c2(c)(c(=cc1)c4(=c(cc2)c3([ch](c(c)(c)c(o)cc3)cc4)(c)))))c
inchi-key:
- lfqxezvyncbvdo-pbjlwwpksa-n
molecular-weight:
- 410.682

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite RS-TETRAHYDROBENZYLISOQUINOLINE ==
+== Metabolite 44-DIMETHYL-CHOLESTA-814-24-TRIENOL ==
 * common-name:
-** (r,s)-tetrahydrobenzylisoquinoline
+** 4,4-dimethyl-cholesta-8,14,24-trienol
 * smiles:
-** c3(c=cc(cc1(c2(c(cc[n+]1)=cc=cc=2)))=cc=3)
+** cc(c)=cccc([ch]1(c2(c)(c(=cc1)c4(=c(cc2)c3([ch](c(c)(c)c(o)cc3)cc4)(c)))))c
 * inchi-key:
-** yrycifuzsumaay-uhfffaoysa-o
+** lfqxezvyncbvdo-pbjlwwpksa-n
 * molecular-weight:
-** 224.325
+** 410.682
 == Reaction(s) known to consume the compound ==
-* [[2.1.1.115-RXN]]
+* [[RXN66-306]]
 == Reaction(s) known to produce the compound ==
+* [[RXN3O-130]]
+* [[RXN66-305]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(r,s)-tetrahydrobenzylisoquinoline}}
+{{#set: common-name=4,4-dimethyl-cholesta-8,14,24-trienol}}
-{{#set: inchi-key=inchikey=yrycifuzsumaay-uhfffaoysa-o}}
+{{#set: inchi-key=inchikey=lfqxezvyncbvdo-pbjlwwpksa-n}}
-{{#set: molecular-weight=224.325}}
+{{#set: molecular-weight=410.682}}