Difference between revisions of "CPD-318"

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(Created page with "Category:metabolite == Metabolite CPD-676 == * common-name: ** trans-caffeate * smiles: ** c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1) * inchi-key: ** qaiprvgongvqas-duxpyhpusa-m *...")
(Created page with "Category:metabolite == Metabolite CPD-15363 == * common-name: ** (11z)-icosenoyl-coa * smiles: ** ccccccccc=ccccccccccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-676 ==
+
== Metabolite CPD-15363 ==
 
* common-name:
 
* common-name:
** trans-caffeate
+
** (11z)-icosenoyl-coa
 
* smiles:
 
* smiles:
** c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1)
+
** ccccccccc=ccccccccccc(=o)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-]
 
* inchi-key:
 
* inchi-key:
** qaiprvgongvqas-duxpyhpusa-m
+
** zdrkxadsrocwcg-fvldfciysa-j
 
* molecular-weight:
 
* molecular-weight:
** 179.152
+
** 1056.006
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1104]]
+
* [[RXN-16158]]
* [[RXN-1126]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16158]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=trans-caffeate}}
+
{{#set: common-name=(11z)-icosenoyl-coa}}
{{#set: inchi-key=inchikey=qaiprvgongvqas-duxpyhpusa-m}}
+
{{#set: inchi-key=inchikey=zdrkxadsrocwcg-fvldfciysa-j}}
{{#set: molecular-weight=179.152}}
+
{{#set: molecular-weight=1056.006}}

Revision as of 13:13, 14 January 2021

Metabolite CPD-15363

  • common-name:
    • (11z)-icosenoyl-coa
  • smiles:
    • ccccccccc=ccccccccccc(=o)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-]
  • inchi-key:
    • zdrkxadsrocwcg-fvldfciysa-j
  • molecular-weight:
    • 1056.006

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality