Difference between revisions of "CPD-17271"

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(Created page with "Category:metabolite == Metabolite 3-UREIDO-ISOBUTYRATE == * common-name: ** 3-(carbamoylamino)-2-methylpropanoate * smiles: ** cc(cnc(n)=o)c(=o)[o-] * inchi-key: ** phentz...")
(Created page with "Category:metabolite == Metabolite GAMMA-BUTYROBETAINE == * common-name: ** γ-butyrobetaine * smiles: ** c[n+](cccc([o-])=o)(c)c * inchi-key: ** jhpnvniexxlntr-uhfffa...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 3-UREIDO-ISOBUTYRATE ==
+
== Metabolite GAMMA-BUTYROBETAINE ==
 
* common-name:
 
* common-name:
** 3-(carbamoylamino)-2-methylpropanoate
+
** γ-butyrobetaine
 
* smiles:
 
* smiles:
** cc(cnc(n)=o)c(=o)[o-]
+
** c[n+](cccc([o-])=o)(c)c
 
* inchi-key:
 
* inchi-key:
** phentznalbmcqd-gsvougtgsa-m
+
** jhpnvniexxlntr-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 145.138
+
** 145.201
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11210]]
+
* [[1.14.11.1-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-(carbamoylamino)-2-methylpropanoate}}
+
{{#set: common-name=γ-butyrobetaine}}
{{#set: inchi-key=inchikey=phentznalbmcqd-gsvougtgsa-m}}
+
{{#set: inchi-key=inchikey=jhpnvniexxlntr-uhfffaoysa-n}}
{{#set: molecular-weight=145.138}}
+
{{#set: molecular-weight=145.201}}

Revision as of 15:27, 5 January 2021

Metabolite GAMMA-BUTYROBETAINE

  • common-name:
    • γ-butyrobetaine
  • smiles:
    • c[n+](cccc([o-])=o)(c)c
  • inchi-key:
    • jhpnvniexxlntr-uhfffaoysa-n
  • molecular-weight:
    • 145.201

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality