Difference between revisions of "SJ15446"

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(Created page with "Category:metabolite == Metabolite CPD-3945 == * common-name: ** (22α)-hydroxy-campest-4-en-3-one * smiles: ** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c...")
(Created page with "Category:metabolite == Metabolite CPDQT-28 == * common-name: ** 7-(methylthio)-2-oxoheptanoate * smiles: ** cscccccc(=o)c([o-])=o * inchi-key: ** twaioppflzexco-uhfffaoysa...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-3945 ==
+
== Metabolite CPDQT-28 ==
 
* common-name:
 
* common-name:
** (22α)-hydroxy-campest-4-en-3-one
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** 7-(methylthio)-2-oxoheptanoate
 
* smiles:
 
* smiles:
** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
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** cscccccc(=o)c([o-])=o
 
* inchi-key:
 
* inchi-key:
** fmfaicdkespfnh-nqmbqapesa-n
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** twaioppflzexco-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 414.67
+
** 189.249
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-4231]]
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* [[RXNQT-4168]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(22α)-hydroxy-campest-4-en-3-one}}
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{{#set: common-name=7-(methylthio)-2-oxoheptanoate}}
{{#set: inchi-key=inchikey=fmfaicdkespfnh-nqmbqapesa-n}}
+
{{#set: inchi-key=inchikey=twaioppflzexco-uhfffaoysa-m}}
{{#set: molecular-weight=414.67}}
+
{{#set: molecular-weight=189.249}}

Revision as of 15:24, 5 January 2021

Metabolite CPDQT-28

  • common-name:
    • 7-(methylthio)-2-oxoheptanoate
  • smiles:
    • cscccccc(=o)c([o-])=o
  • inchi-key:
    • twaioppflzexco-uhfffaoysa-m
  • molecular-weight:
    • 189.249

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality