Difference between revisions of "CPD-787"

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(Created page with "Category:metabolite == Metabolite DIHYDRO-DIOH-BENZOATE == * common-name: ** (2s,3s)-2,3-dihydroxy-2,3-dihydrobenzoate * smiles: ** c([o-])(=o)c1(=cc=cc(c1o)o) * inchi-key...")
(Created page with "Category:metabolite == Metabolite CPD-787 == * common-name: ** (2z,4z)-2-hydroxyhepta-2,4-dienedioate * smiles: ** c([o-])(=o)cc=cc=c(o)c(=o)[o-] * inchi-key: ** zbcbetmbs...")
 
(4 intermediate revisions by one other user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite DIHYDRO-DIOH-BENZOATE ==
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== Metabolite CPD-787 ==
 
* common-name:
 
* common-name:
** (2s,3s)-2,3-dihydroxy-2,3-dihydrobenzoate
+
** (2z,4z)-2-hydroxyhepta-2,4-dienedioate
 
* smiles:
 
* smiles:
** c([o-])(=o)c1(=cc=cc(c1o)o)
+
** c([o-])(=o)cc=cc=c(o)c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** incswykiciyahb-wdskdsinsa-m
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** zbcbetmbsdtinl-nwjcxacmsa-l
 
* molecular-weight:
 
* molecular-weight:
** 155.13
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** 170.121
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[DHBDEHYD-RXN]]
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* [[RXN1K-87]]
 
== 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=(2s,3s)-2,3-dihydroxy-2,3-dihydrobenzoate}}
+
{{#set: common-name=(2z,4z)-2-hydroxyhepta-2,4-dienedioate}}
{{#set: inchi-key=inchikey=incswykiciyahb-wdskdsinsa-m}}
+
{{#set: inchi-key=inchikey=zbcbetmbsdtinl-nwjcxacmsa-l}}
{{#set: molecular-weight=155.13}}
+
{{#set: molecular-weight=170.121}}

Latest revision as of 11:17, 18 March 2021

Metabolite CPD-787

  • common-name:
    • (2z,4z)-2-hydroxyhepta-2,4-dienedioate
  • smiles:
    • c([o-])(=o)cc=cc=c(o)c(=o)[o-]
  • inchi-key:
    • zbcbetmbsdtinl-nwjcxacmsa-l
  • molecular-weight:
    • 170.121

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality