Difference between revisions of "CPD-71"

Latest revision as of 11:14, 18 March 2021

common-name:
- (25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa
smiles:
- cc(cccc(c)c(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-])=o)[ch]4(cc[ch]5(c(c)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
inchi-key:
- mnydliunnocphg-fjwdchqmsa-j
molecular-weight:
- 1196.145

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-18437 ==
+== Metabolite CPD-71 ==
 * common-name:
-** 3-hydroxy-4-methyl-anthranilate pentapeptide lactone
+** (25r)-3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoyl-coa
 * smiles:
-** cc(c)c1(c(=o)n3([ch](c(n(c)cc(n(c(c(c)c)c(=o)oc(c)c(c(n1)=o)nc(=o)c2(c=cc(c)=c(c(n)=2)o))c)=o)=o)ccc3))
+** cc(cccc(c)c(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-])=o)[ch]4(cc[ch]5(c(c)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
 * inchi-key:
-** idanitfecicajb-mpkzyahhsa-n
+** mnydliunnocphg-fjwdchqmsa-j
 * molecular-weight:
-** 630.74
+** 1196.145
 == Reaction(s) known to consume the compound ==
-* [[RXN-17067]]
+* [[1.17.99.3-RXN]]
 == Reaction(s) known to produce the compound ==
+* [[1.17.99.3-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-hydroxy-4-methyl-anthranilate pentapeptide lactone}}
+{{#set: common-name=(25r)-3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoyl-coa}}
-{{#set: inchi-key=inchikey=idanitfecicajb-mpkzyahhsa-n}}
+{{#set: inchi-key=inchikey=mnydliunnocphg-fjwdchqmsa-j}}
-{{#set: molecular-weight=630.74}}
+{{#set: molecular-weight=1196.145}}