Difference between revisions of "CPD-14282"

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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 3-OXOPIMELOYL-COA == * common-name: ** 3-oxopimeloyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(cccc([o-])=o)=o)=o)cop(=o)(op(=o)(o...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite S-NORCOCLAURINE ==
+
== Metabolite 3-OXOPIMELOYL-COA ==
 
* common-name:
 
* common-name:
** (s)-norcoclaurine
+
** 3-oxopimeloyl-coa
 
* smiles:
 
* smiles:
** c1([n+][ch](c2(=c(c1)c=c(c(=c2)o)o))cc3(=cc=c(c=c3)o))
+
** cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(cccc([o-])=o)=o)=o)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-]
 
* inchi-key:
 
* inchi-key:
** wzrcqwqrfzitdx-aweznqclsa-o
+
** kjxfofktzdjlmq-uyrkptjqsa-i
 
* molecular-weight:
 
* molecular-weight:
** 272.323
+
** 918.632
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2.1.1.128-RXN]]
+
* [[RXN-8032]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-8032]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(s)-norcoclaurine}}
+
{{#set: common-name=3-oxopimeloyl-coa}}
{{#set: inchi-key=inchikey=wzrcqwqrfzitdx-aweznqclsa-o}}
+
{{#set: inchi-key=inchikey=kjxfofktzdjlmq-uyrkptjqsa-i}}
{{#set: molecular-weight=272.323}}
+
{{#set: molecular-weight=918.632}}

Revision as of 18:56, 14 January 2021

Metabolite 3-OXOPIMELOYL-COA

  • common-name:
    • 3-oxopimeloyl-coa
  • smiles:
    • cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(cccc([o-])=o)=o)=o)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-]
  • inchi-key:
    • kjxfofktzdjlmq-uyrkptjqsa-i
  • molecular-weight:
    • 918.632

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality