Difference between revisions of "CPD-13040"

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(Created page with "Category:metabolite == Metabolite CPD-15689 == * common-name: ** (2e,5e)-dodeca-2,5-dienoyl-coa * smiles: ** ccccccc=ccc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(o...")
(Created page with "Category:metabolite == Metabolite CPD-13040 == * common-name: ** 1,2-dibutyrin * smiles: ** cccc(occ(oc(ccc)=o)co)=o * inchi-key: ** awhaupzhzyuhom-vifpvbqesa-n * molecula...")
 
(3 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-15689 ==
+
== Metabolite CPD-13040 ==
 
* common-name:
 
* common-name:
** (2e,5e)-dodeca-2,5-dienoyl-coa
+
** 1,2-dibutyrin
 
* smiles:
 
* smiles:
** ccccccc=ccc=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-]
+
** cccc(occ(oc(ccc)=o)co)=o
 
* inchi-key:
 
* inchi-key:
** zsjrxhrcabosnc-uovvplbnsa-j
+
** awhaupzhzyuhom-vifpvbqesa-n
 
* molecular-weight:
 
* molecular-weight:
** 941.776
+
** 232.276
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14801]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12086]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2e,5e)-dodeca-2,5-dienoyl-coa}}
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{{#set: common-name=1,2-dibutyrin}}
{{#set: inchi-key=inchikey=zsjrxhrcabosnc-uovvplbnsa-j}}
+
{{#set: inchi-key=inchikey=awhaupzhzyuhom-vifpvbqesa-n}}
{{#set: molecular-weight=941.776}}
+
{{#set: molecular-weight=232.276}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-13040

  • common-name:
    • 1,2-dibutyrin
  • smiles:
    • cccc(occ(oc(ccc)=o)co)=o
  • inchi-key:
    • awhaupzhzyuhom-vifpvbqesa-n
  • molecular-weight:
    • 232.276

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality