Difference between revisions of "CPD-14271"

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(Created page with "Category:metabolite == Metabolite 3-HYDROXY-ISOVALERYL-COA == * common-name: ** 3-hydroxyisovaleryl-coa * smiles: ** cc(cop(=o)([o-])op(=o)([o-])occ3(c(c(c(n2(c=nc1(c(=nc=...")
(Created page with "Category:metabolite == Metabolite CPDQT-27 == * common-name: ** 6-(methylthio)-2-oxohexanoate * smiles: ** csccccc(=o)c([o-])=o * inchi-key: ** grugzhaoxopasc-uhfffaoysa-m...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 3-HYDROXY-ISOVALERYL-COA ==
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== Metabolite CPDQT-27 ==
 
* common-name:
 
* common-name:
** 3-hydroxyisovaleryl-coa
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** 6-(methylthio)-2-oxohexanoate
 
* smiles:
 
* smiles:
** cc(cop(=o)([o-])op(=o)([o-])occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])([o-])=o))(c)c(c(nccc(nccsc(=o)cc(c)(c)o)=o)=o)o
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** csccccc(=o)c([o-])=o
 
* inchi-key:
 
* inchi-key:
** pevzkilcbdeobt-uhfffaoysa-j
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** grugzhaoxopasc-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 863.619
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** 175.222
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ECH_LPAREN_3hivcoa_RPAREN_]]
 
* [[RXN-14266]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ECH_LPAREN_3hivcoa_RPAREN_]]
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* [[RXNQT-4165]]
* [[RXN-14266]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-hydroxyisovaleryl-coa}}
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{{#set: common-name=6-(methylthio)-2-oxohexanoate}}
{{#set: inchi-key=inchikey=pevzkilcbdeobt-uhfffaoysa-j}}
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{{#set: inchi-key=inchikey=grugzhaoxopasc-uhfffaoysa-m}}
{{#set: molecular-weight=863.619}}
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{{#set: molecular-weight=175.222}}

Revision as of 14:54, 5 January 2021

Metabolite CPDQT-27

  • common-name:
    • 6-(methylthio)-2-oxohexanoate
  • smiles:
    • csccccc(=o)c([o-])=o
  • inchi-key:
    • grugzhaoxopasc-uhfffaoysa-m
  • molecular-weight:
    • 175.222

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality