Difference between revisions of "CPD-13081"

Revision as of 08:25, 15 March 2021

common-name:
- 4α-methyl-5α-cholesta-8-en-3-one
smiles:
- cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)c(c)c(=o)cc3)))cc4)))c
inchi-key:
- sdzuxffgoqzlpk-sinuoacosa-n
molecular-weight:
- 398.671

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17815 ==
+== Metabolite CPD-8614 ==
 * common-name:
-** (11z)-3-oxo-hexadecenoyl-coa
+** 4&alpha;-methyl-5&alpha;-cholesta-8-en-3-one
 * smiles:
-** ccccc=ccccccccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+** cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)c(c)c(=o)cc3)))cc4)))c
 * inchi-key:
-** lgtvdwicxibioi-ubpkjmqesa-j
+** sdzuxffgoqzlpk-sinuoacosa-n
 * molecular-weight:
-** 1013.883
+** 398.671
 == Reaction(s) known to consume the compound ==
-* [[RXN-16559]]
+* [[RXN66-19]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16559]]
+* [[RXN66-18]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(11z)-3-oxo-hexadecenoyl-coa}}
+{{#set: common-name=4&alpha;-methyl-5&alpha;-cholesta-8-en-3-one}}
-{{#set: inchi-key=inchikey=lgtvdwicxibioi-ubpkjmqesa-j}}
+{{#set: inchi-key=inchikey=sdzuxffgoqzlpk-sinuoacosa-n}}
-{{#set: molecular-weight=1013.883}}
+{{#set: molecular-weight=398.671}}