Difference between revisions of "SJ12311"

Revision as of 14:19, 26 August 2019

common-name:
- (2e)-oct-2-enoyl-coa
smiles:
- cccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- cpsdnaxxkwvyiy-ntlmcjqisa-j
molecular-weight:
- 887.685

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7275 CPD-7275] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2108 CPD0-2108] ==
 * common-name:
-** (24r,25r)-3&alpha;,7&alpha;,12&alpha;,24-tetrahydroxy-5&beta;-cholestanoyl coa
+** (2e)-oct-2-enoyl-coa
 * smiles:
-** cc(ccc(o)c(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))))
+** cccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** pxhzoqnodupjkc-mtlgcjaasa-j
+** cpsdnaxxkwvyiy-ntlmcjqisa-j
 * molecular-weight:
-** 1212.144
+** 887.685
 == Reaction(s) known to consume the compound ==
-* [[1.17.99.3-RXN]]
+* [[RXN-14229]]
-* [[4.2.1.107-RXN]]
+* [[RXN-14276]]
 == Reaction(s) known to produce the compound ==
-* [[1.17.99.3-RXN]]
+* [[ACOA80OR]]
-* [[4.2.1.107-RXN]]
+* [[RXN-12669]]
+* [[RXN-14229]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(24r,25r)-3&alpha;,7&alpha;,12&alpha;,24-tetrahydroxy-5&beta;-cholestanoyl coa}}
+{{#set: common-name=(2e)-oct-2-enoyl-coa}}
-{{#set: inchi-key=inchikey=pxhzoqnodupjkc-mtlgcjaasa-j}}
+{{#set: inchi-key=inchikey=cpsdnaxxkwvyiy-ntlmcjqisa-j}}
-{{#set: molecular-weight=1212.144}}
+{{#set: molecular-weight=887.685}}