Difference between revisions of "SJ15746"

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(Created page with "Category:metabolite == Metabolite CPD-3486 == * common-name: ** 3-chlorobenzoate * smiles: ** c1(c=c(cl)c=c(c=1)c(=o)[o-]) * inchi-key: ** lulayugmbfyyex-uhfffaoysa-m * mo...")
(Created page with "Category:metabolite == Metabolite CPD-15637 == * common-name: ** 6-cis-tridecenoyl-coa * smiles: ** ccccccc=cccccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op(...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-3486 ==
+
== Metabolite CPD-15637 ==
 
* common-name:
 
* common-name:
** 3-chlorobenzoate
+
** 6-cis-tridecenoyl-coa
 
* smiles:
 
* smiles:
** c1(c=c(cl)c=c(c=1)c(=o)[o-])
+
** ccccccc=cccccc(=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:
** lulayugmbfyyex-uhfffaoysa-m
+
** uuivzebypbpkll-dxazuofzsa-j
 
* molecular-weight:
 
* molecular-weight:
** 155.56
+
** 957.819
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14771]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9910]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-chlorobenzoate}}
+
{{#set: common-name=6-cis-tridecenoyl-coa}}
{{#set: inchi-key=inchikey=lulayugmbfyyex-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=uuivzebypbpkll-dxazuofzsa-j}}
{{#set: molecular-weight=155.56}}
+
{{#set: molecular-weight=957.819}}

Revision as of 18:52, 14 January 2021

Metabolite CPD-15637

  • common-name:
    • 6-cis-tridecenoyl-coa
  • smiles:
    • ccccccc=cccccc(=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:
    • uuivzebypbpkll-dxazuofzsa-j
  • molecular-weight:
    • 957.819

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality