Difference between revisions of "CPD-19163"

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(Created page with "Category:metabolite == Metabolite 4-TRIMETHYLAMMONIOBUTANAL == * common-name: ** 4-trimethylammoniobutanal * smiles: ** c(cc[ch]=o)[n+](c)(c)c * inchi-key: ** oitblcdwxsxn...")
(Created page with "Category:metabolite == Metabolite CPD-19163 == * common-name: ** (2e,11z)-octadecenoyl-coa * smiles: ** ccccccc=ccccccccc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(...")
 
(3 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 4-TRIMETHYLAMMONIOBUTANAL ==
+
== Metabolite CPD-19163 ==
 
* common-name:
 
* common-name:
** 4-trimethylammoniobutanal
+
** (2e,11z)-octadecenoyl-coa
 
* smiles:
 
* smiles:
** c(cc[ch]=o)[n+](c)(c)c
+
** ccccccc=ccccccccc=cc(=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:
** oitblcdwxsxncn-uhfffaoysa-n
+
** opmpwwfmnywbgf-pkybcsrxsa-j
 
* molecular-weight:
 
* molecular-weight:
** 130.209
+
** 1025.937
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17785]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9896]]
+
* [[RXN-17784]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-trimethylammoniobutanal}}
+
{{#set: common-name=(2e,11z)-octadecenoyl-coa}}
{{#set: inchi-key=inchikey=oitblcdwxsxncn-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=opmpwwfmnywbgf-pkybcsrxsa-j}}
{{#set: molecular-weight=130.209}}
+
{{#set: molecular-weight=1025.937}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-19163

  • common-name:
    • (2e,11z)-octadecenoyl-coa
  • smiles:
    • ccccccc=ccccccccc=cc(=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:
    • opmpwwfmnywbgf-pkybcsrxsa-j
  • molecular-weight:
    • 1025.937

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality