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-14900 ==
+== Metabolite CPD-4577 ==
 * common-name:
-** porifersta-5,7-dienol
+** 4&alpha;-carboxy-4&beta;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol
 * smiles:
-** ccc(c(c)c)ccc(c)[ch]3(cc[ch]4(c2(=cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
+** 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:
-** arvgmiswlzpbch-wgdhxtrrsa-n
+** mywaiwdqtchpth-ljaizbfvsa-m
 * molecular-weight:
-** 412.698
+** 441.673
 == Reaction(s) known to consume the compound ==
+* [[RXN66-313]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13892]]
+* [[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=porifersta-5,7-dienol}}
+{{#set: common-name=4&alpha;-carboxy-4&beta;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol}}
-{{#set: inchi-key=inchikey=arvgmiswlzpbch-wgdhxtrrsa-n}}
+{{#set: inchi-key=inchikey=mywaiwdqtchpth-ljaizbfvsa-m}}
-{{#set: molecular-weight=412.698}}
+{{#set: molecular-weight=441.673}}