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 THIAMINE-P ==
+== Metabolite CPD-71 ==
 * common-name:
-** thiamine phosphate
+** (25r)-3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoyl-coa
 * smiles:
-** cc1([n+](=csc(ccop([o-])(=o)[o-])=1)cc2(c=nc(c)=nc(n)=2))
+** 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:
-** hzsajdvwzrbgif-uhfffaoysa-m
+** mnydliunnocphg-fjwdchqmsa-j
 * molecular-weight:
-** 343.317
+** 1196.145
 == Reaction(s) known to consume the compound ==
-* [[RXN0-3542]]
+* [[1.17.99.3-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12610]]
+* [[1.17.99.3-RXN]]
-* [[RXN-12611]]
-* [[RXN0-3542]]
-* [[THI-P-SYN-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=thiamine phosphate}}
+{{#set: common-name=(25r)-3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoyl-coa}}
-{{#set: inchi-key=inchikey=hzsajdvwzrbgif-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=mnydliunnocphg-fjwdchqmsa-j}}
-{{#set: molecular-weight=343.317}}
+{{#set: molecular-weight=1196.145}}