Difference between revisions of "CH3-MALONATE-S-ALD"

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(Created page with "Category:metabolite == Metabolite 2-DEHYDROPANTOATE == * common-name: ** 2-dehydropantoate * smiles: ** cc(c(=o)c([o-])=o)(co)c * inchi-key: ** pkvvtuwhanfmqc-uhfffaoysa-m...")
(Created page with "Category:metabolite == Metabolite CPD-4821 == * common-name: ** kanamycin a * smiles: ** c([n+])c1(c(o)c(o)c(o)c(o1)oc2(c([n+])cc(c(c2o)oc3(oc(co)c(o)c([n+])c(o)3))[n+]))...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-DEHYDROPANTOATE ==
+
== Metabolite CPD-4821 ==
 
* common-name:
 
* common-name:
** 2-dehydropantoate
+
** kanamycin a
 
* smiles:
 
* smiles:
** cc(c(=o)c([o-])=o)(co)c
+
** c([n+])c1(c(o)c(o)c(o)c(o1)oc2(c([n+])cc(c(c2o)oc3(oc(co)c(o)c([n+])c(o)3))[n+]))
 
* inchi-key:
 
* inchi-key:
** pkvvtuwhanfmqc-uhfffaoysa-m
+
** sbujhosqtjfqjx-noamyhissa-r
 
* molecular-weight:
 
* molecular-weight:
** 145.135
+
** 488.534
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
+
* [[RXN-13167]]
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
+
* [[RXN-15285]]
* [[KETOPANTOALDOLASE-RXN]]
 
* [[MOHMT]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
 
* [[KETOPANTOALDOLASE-RXN]]
 
* [[MOHMT]]
 
* [[MTMOHT]]
 
* [[RXN-15635]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-dehydropantoate}}
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{{#set: common-name=kanamycin a}}
{{#set: inchi-key=inchikey=pkvvtuwhanfmqc-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=sbujhosqtjfqjx-noamyhissa-r}}
{{#set: molecular-weight=145.135}}
+
{{#set: molecular-weight=488.534}}

Revision as of 13:10, 14 January 2021

Metabolite CPD-4821

  • common-name:
    • kanamycin a
  • smiles:
    • c([n+])c1(c(o)c(o)c(o)c(o1)oc2(c([n+])cc(c(c2o)oc3(oc(co)c(o)c([n+])c(o)3))[n+]))
  • inchi-key:
    • sbujhosqtjfqjx-noamyhissa-r
  • molecular-weight:
    • 488.534

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality