Difference between revisions of "CPD66-29"

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(Created page with "Category:metabolite == Metabolite S-NORCOCLAURINE == * common-name: ** (s)-norcoclaurine * smiles: ** c1([n+][ch](c2(=c(c1)c=c(c(=c2)o)o))cc3(=cc=c(c=c3)o)) * inchi-key: *...")
(Created page with "Category:metabolite == Metabolite CPDQT-39 == * common-name: ** 3-[(6'-methylthio)hexyl]malate * smiles: ** csccccccc(c(o)c(=o)[o-])c(=o)[o-] * inchi-key: ** lqqzhlhcfscjc...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite S-NORCOCLAURINE ==
+
== Metabolite CPDQT-39 ==
 
* common-name:
 
* common-name:
** (s)-norcoclaurine
+
** 3-[(6'-methylthio)hexyl]malate
 
* smiles:
 
* smiles:
** c1([n+][ch](c2(=c(c1)c=c(c(=c2)o)o))cc3(=cc=c(c=c3)o))
+
** csccccccc(c(o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** wzrcqwqrfzitdx-aweznqclsa-o
+
** lqqzhlhcfscjcu-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 272.323
+
** 262.32
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2.1.1.128-RXN]]
+
* [[RXN-18202]]
 +
* [[RXNQT-4174]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-18202]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(s)-norcoclaurine}}
+
{{#set: common-name=3-[(6'-methylthio)hexyl]malate}}
{{#set: inchi-key=inchikey=wzrcqwqrfzitdx-aweznqclsa-o}}
+
{{#set: inchi-key=inchikey=lqqzhlhcfscjcu-uhfffaoysa-l}}
{{#set: molecular-weight=272.323}}
+
{{#set: molecular-weight=262.32}}

Revision as of 14:57, 5 January 2021

Metabolite CPDQT-39

  • common-name:
    • 3-[(6'-methylthio)hexyl]malate
  • smiles:
    • csccccccc(c(o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • lqqzhlhcfscjcu-uhfffaoysa-l
  • molecular-weight:
    • 262.32

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

Property "Common-name" (as page type) with input value "3-[(6'-methylthio)hexyl]malate" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.