Difference between revisions of "3-carboxy-3-dimethylammonio-propyl-L-his"

Revision as of 18:53, 14 January 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 PELARGONIDIN-3-GLUCOSIDE-CMPD ==
+== Metabolite CPD-8614 ==
 * common-name:
-** pelargonidin-3-o-&beta;-d-glucoside
+** 4&alpha;-methyl-5&alpha;-cholesta-8-en-3-one
 * smiles:
-** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[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:
-** abvcubuixwjyse-gqupqbgvsa-m
+** sdzuxffgoqzlpk-sinuoacosa-n
 * molecular-weight:
-** 431.375
+** 398.671
 == Reaction(s) known to consume the compound ==
-* [[RXN-7828]]
+* [[RXN66-19]]
 == Reaction(s) known to produce the compound ==
+* [[RXN66-18]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=pelargonidin-3-o-&beta;-d-glucoside}}
+{{#set: common-name=4&alpha;-methyl-5&alpha;-cholesta-8-en-3-one}}
-{{#set: inchi-key=inchikey=abvcubuixwjyse-gqupqbgvsa-m}}
+{{#set: inchi-key=inchikey=sdzuxffgoqzlpk-sinuoacosa-n}}
-{{#set: molecular-weight=431.375}}
+{{#set: molecular-weight=398.671}}