Difference between revisions of "MANNITOL-1P"

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(Created page with "Category:metabolite == Metabolite CPD-514 == * common-name: ** 3-oxo-3-phenylpropanoyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(=cc=cc=c1))cop(=o)(op(=o)(...")
(Created page with "Category:metabolite == Metabolite 2K-ADIPATE == * common-name: ** 2-oxoadipate * smiles: ** c(cc(=o)c(=o)[o-])cc(=o)[o-] * inchi-key: ** fgsbnbbhozhubo-uhfffaoysa-l * mole...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-514 ==
+
== Metabolite 2K-ADIPATE ==
 
* common-name:
 
* common-name:
** 3-oxo-3-phenylpropanoyl-coa
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** 2-oxoadipate
 
* smiles:
 
* smiles:
** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(=cc=cc=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
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** c(cc(=o)c(=o)[o-])cc(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** nhdpiyiccbknnj-fueukbnzsa-j
+
** fgsbnbbhozhubo-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 909.648
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** 158.11
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-2006]]
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* [[2-KETO-ADIPATE-DEHYDROG-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-oxo-3-phenylpropanoyl-coa}}
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{{#set: common-name=2-oxoadipate}}
{{#set: inchi-key=inchikey=nhdpiyiccbknnj-fueukbnzsa-j}}
+
{{#set: inchi-key=inchikey=fgsbnbbhozhubo-uhfffaoysa-l}}
{{#set: molecular-weight=909.648}}
+
{{#set: molecular-weight=158.11}}

Revision as of 14:54, 5 January 2021

Metabolite 2K-ADIPATE

  • common-name:
    • 2-oxoadipate
  • smiles:
    • c(cc(=o)c(=o)[o-])cc(=o)[o-]
  • inchi-key:
    • fgsbnbbhozhubo-uhfffaoysa-l
  • molecular-weight:
    • 158.11

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality