Difference between revisions of "CPD-804"

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(Created page with "Category:metabolite == Metabolite CPD1G-1353 == * common-name: ** trehalose-cis-keto-mono-mycolate * smiles: ** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c...")
(Created page with "Category:metabolite == Metabolite DODECANOATE == * common-name: ** laurate * smiles: ** cccccccccccc([o-])=o * inchi-key: ** poulhzvokoajma-uhfffaoysa-m * molecular-weight...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD1G-1353 ==
+
== Metabolite DODECANOATE ==
 
* common-name:
 
* common-name:
** trehalose-cis-keto-mono-mycolate
+
** laurate
 
* smiles:
 
* smiles:
** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccccc3(cc(ccccccccccccccccc(=o)c(cccccccccccccccccc)c)3)
+
** cccccccccccc([o-])=o
 
* inchi-key:
 
* inchi-key:
** wpvqftorcfmmcp-wbsumzshsa-n
+
** poulhzvokoajma-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 1590.555
+
** 199.312
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-16393]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN1G-1438]]
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* [[3.1.2.21-RXN]]
 +
* [[RXN-16654]]
 +
* [[RXN-9627]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=trehalose-cis-keto-mono-mycolate}}
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{{#set: common-name=laurate}}
{{#set: inchi-key=inchikey=wpvqftorcfmmcp-wbsumzshsa-n}}
+
{{#set: inchi-key=inchikey=poulhzvokoajma-uhfffaoysa-m}}
{{#set: molecular-weight=1590.555}}
+
{{#set: molecular-weight=199.312}}

Revision as of 11:16, 15 January 2021

Metabolite DODECANOATE

  • common-name:
    • laurate
  • smiles:
    • cccccccccccc([o-])=o
  • inchi-key:
    • poulhzvokoajma-uhfffaoysa-m
  • molecular-weight:
    • 199.312

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality