Difference between revisions of "CPD-19490"

From metabolic_network
Jump to navigation Jump to search
(Created page with "Category:metabolite == Metabolite CPD-14274 == * common-name: ** 3-oxo-cerotoyl-coa * smiles: ** cccccccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op...")
(Created page with "Category:metabolite == Metabolite CPD-19490 == * common-name: ** 3-isopropyl-7-(methylthio)-2-oxoheptanoate * smiles: ** csccccc(c(=o)c(=o)[o-])c(=o)[o-] * inchi-key: ** x...")
 
(4 intermediate revisions by 2 users not shown)
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14274 ==
+
== Metabolite CPD-19490 ==
 
* common-name:
 
* common-name:
** 3-oxo-cerotoyl-coa
+
** 3-isopropyl-7-(methylthio)-2-oxoheptanoate
 
* smiles:
 
* smiles:
** cccccccccccccccccccccccc(=o)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
+
** csccccc(c(=o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** vomuifobqmyjpj-cpigopahsa-j
+
** xxjzwlkrfpcklb-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 1156.166
+
** 232.251
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13301]]
+
* [[RXN-18206]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13296]]
+
* [[RXN-18206]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-cerotoyl-coa}}
+
{{#set: common-name=3-isopropyl-7-(methylthio)-2-oxoheptanoate}}
{{#set: inchi-key=inchikey=vomuifobqmyjpj-cpigopahsa-j}}
+
{{#set: inchi-key=inchikey=xxjzwlkrfpcklb-uhfffaoysa-l}}
{{#set: molecular-weight=1156.166}}
+
{{#set: molecular-weight=232.251}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-19490

  • common-name:
    • 3-isopropyl-7-(methylthio)-2-oxoheptanoate
  • smiles:
    • csccccc(c(=o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • xxjzwlkrfpcklb-uhfffaoysa-l
  • molecular-weight:
    • 232.251

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality