Difference between revisions of "CPDQT-27"

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(Created page with "Category:metabolite == Metabolite CPD-292 == * common-name: ** (2e)-hexadecenal * inchi-key: ** kljfyxovgvxzkt-ccezhusrsa-n * molecular-weight: ** 238.412 * smiles: ** ccc...")
(Created page with "Category:metabolite == Metabolite CPDQT-27 == * common-name: ** 6-(methylsulfanyl)-2-oxohexanoate * inchi-key: ** grugzhaoxopasc-uhfffaoysa-m * molecular-weight: ** 175.22...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-292 ==
+
== Metabolite CPDQT-27 ==
 
* common-name:
 
* common-name:
** (2e)-hexadecenal
+
** 6-(methylsulfanyl)-2-oxohexanoate
 
* inchi-key:
 
* inchi-key:
** kljfyxovgvxzkt-ccezhusrsa-n
+
** grugzhaoxopasc-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 238.412
+
** 175.222
 
* smiles:
 
* smiles:
** cccccccccccccc=c[ch]=o
+
** csccccc(=o)c([o-])=o
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-16656]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXNQT-4165]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2e)-hexadecenal}}
+
{{#set: common-name=6-(methylsulfanyl)-2-oxohexanoate}}
{{#set: inchi-key=inchikey=kljfyxovgvxzkt-ccezhusrsa-n}}
+
{{#set: inchi-key=inchikey=grugzhaoxopasc-uhfffaoysa-m}}
{{#set: molecular-weight=238.412}}
+
{{#set: molecular-weight=175.222}}

Latest revision as of 11:14, 17 October 2022

Metabolite CPDQT-27

  • common-name:
    • 6-(methylsulfanyl)-2-oxohexanoate
  • inchi-key:
    • grugzhaoxopasc-uhfffaoysa-m
  • molecular-weight:
    • 175.222
  • smiles:
    • csccccc(=o)c([o-])=o

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality