Difference between revisions of "CPD-4577"

Latest revision as of 11:15, 18 March 2021

common-name:
- 4α-carboxy-4β-methyl-5α-cholesta-8,24-dien-3β-ol
smiles:
- cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c([o-])=o)(c)c(o)ccc(c)1c=2ccc(c)34))))
inchi-key:
- mywaiwdqtchpth-ljaizbfvsa-m
molecular-weight:
- 441.673

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-10546 ==
+== Metabolite CPD-4577 ==
 * common-name:
-** methyl (indol-3-yl)acetate
+** 4&alpha;-carboxy-4&beta;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol
 * smiles:
-** coc(=o)cc2(c1(c(=cc=cc=1)nc=2))
+** cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c([o-])=o)(c)c(o)ccc(c)1c=2ccc(c)34))))
 * inchi-key:
-** kthadmdgdnyqrx-uhfffaoysa-n
+** mywaiwdqtchpth-ljaizbfvsa-m
 * molecular-weight:
-** 189.213
+** 441.673
 == Reaction(s) known to consume the compound ==
-* [[RXN-10711]]
+* [[RXN66-313]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-13712]]
+* [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4577/NAD/WATER.79.]]
+* [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4577/NADP/WATER.81.]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=methyl (indol-3-yl)acetate}}
+{{#set: common-name=4&alpha;-carboxy-4&beta;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol}}
-{{#set: inchi-key=inchikey=kthadmdgdnyqrx-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=mywaiwdqtchpth-ljaizbfvsa-m}}
-{{#set: molecular-weight=189.213}}
+{{#set: molecular-weight=441.673}}