Difference between revisions of "SJ03386"

Revision as of 14:20, 26 August 2019

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 [http://metacyc.org/META/NEW-IMAGE?object=CPD-15568 CPD-15568] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-71 CPD-71] ==
 * common-name:
-** 2e)-tetradec-2-enoyl-coa
+** (25r)-3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoyl-coa
 * smiles:
-** cccccccccccc=cc(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
+** 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:
-** mbcvycokmmmwlx-yymfejjqsa-j
+** mnydliunnocphg-fjwdchqmsa-j
 * molecular-weight:
-** 971.845
+** 1196.145
 == Reaction(s) known to consume the compound ==
-* [[ECOAH6h]]
+* [[1.17.99.3-RXN]]
-* [[RXN-14273]]
 == Reaction(s) known to produce the compound ==
-* [[ACOA140OR]]
+* [[1.17.99.3-RXN]]
-* [[ECOAH6h]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2e)-tetradec-2-enoyl-coa}}
+{{#set: common-name=(25r)-3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoyl-coa}}
-{{#set: inchi-key=inchikey=mbcvycokmmmwlx-yymfejjqsa-j}}
+{{#set: inchi-key=inchikey=mnydliunnocphg-fjwdchqmsa-j}}
-{{#set: molecular-weight=971.845}}
+{{#set: molecular-weight=1196.145}}