Difference between revisions of "BUTANEDIOL"

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(Created page with "Category:metabolite == Metabolite CPD-14273 == * common-name: ** 3-oxo-lignoceroyl-coa * smiles: ** cccccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)o...")
(Created page with "Category:metabolite == Metabolite BUTANEDIOL == * common-name: ** (r,r)-2,3-butanediol * smiles: ** cc(c(o)c)o * inchi-key: ** owbtypjtuoewek-qwwzwvqmsa-n * molecular-weig...")
 
(3 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14273 ==
+
== Metabolite BUTANEDIOL ==
 
* common-name:
 
* common-name:
** 3-oxo-lignoceroyl-coa
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** (r,r)-2,3-butanediol
 
* smiles:
 
* smiles:
** cccccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
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** cc(c(o)c)o
 
* inchi-key:
 
* inchi-key:
** jjsjtiwfknschc-jbkavqfisa-j
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** owbtypjtuoewek-qwwzwvqmsa-n
 
* molecular-weight:
 
* molecular-weight:
** 1128.113
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** 90.122
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13300]]
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* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13297]]
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* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-lignoceroyl-coa}}
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{{#set: common-name=(r,r)-2,3-butanediol}}
{{#set: inchi-key=inchikey=jjsjtiwfknschc-jbkavqfisa-j}}
+
{{#set: inchi-key=inchikey=owbtypjtuoewek-qwwzwvqmsa-n}}
{{#set: molecular-weight=1128.113}}
+
{{#set: molecular-weight=90.122}}

Latest revision as of 11:14, 18 March 2021

Metabolite BUTANEDIOL

  • common-name:
    • (r,r)-2,3-butanediol
  • smiles:
    • cc(c(o)c)o
  • inchi-key:
    • owbtypjtuoewek-qwwzwvqmsa-n
  • molecular-weight:
    • 90.122

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality