Difference between revisions of "Phenols"

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(Created page with "Category:metabolite == Metabolite CROTONYL-COA == * common-name: ** crotonyl-coa * smiles: ** cc=cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(...")
(Created page with "Category:metabolite == Metabolite CPD-19488 == * common-name: ** 3-isopropyl-9-(methylthio)-2-oxononanoate * smiles: ** csccccccc(c(=o)c(=o)[o-])c(=o)[o-] * inchi-key: **...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CROTONYL-COA ==
+
== Metabolite CPD-19488 ==
 
* common-name:
 
* common-name:
** crotonyl-coa
+
** 3-isopropyl-9-(methylthio)-2-oxononanoate
 
* smiles:
 
* smiles:
** cc=cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(c(=nc=nc=23)n))))([o-])=o)(c)c)o)=o)=o)=o
+
** csccccccc(c(=o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** kfwwcmjsysspsk-bogfjhsmsa-j
+
** pbyokogrhhzthq-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 831.577
+
** 260.304
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ACOAD1f]]
+
* [[RXN-18202]]
* [[ACOAR1h]]
 
* [[BUTYRYL-COA-DEHYDROGENASE-RXN]]
 
* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
 
* [[GLUTARYL-COA-DEHYDROGENASE-RXN]]
 
* [[HBCHL]]
 
* [[HBCHLm]]
 
* [[RXN-11667]]
 
* [[RXN-12558]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ACOA40OR]]
+
* [[RXN-18202]]
* [[ACOAD1f]]
 
* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
 
* [[GLUTARYL-COA-DEHYDROGENASE-RXN]]
 
* [[HBCHL]]
 
* [[HBCHLm]]
 
* [[RXN-11667]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=crotonyl-coa}}
+
{{#set: common-name=3-isopropyl-9-(methylthio)-2-oxononanoate}}
{{#set: inchi-key=inchikey=kfwwcmjsysspsk-bogfjhsmsa-j}}
+
{{#set: inchi-key=inchikey=pbyokogrhhzthq-uhfffaoysa-l}}
{{#set: molecular-weight=831.577}}
+
{{#set: molecular-weight=260.304}}

Revision as of 15:27, 5 January 2021

Metabolite CPD-19488

  • common-name:
    • 3-isopropyl-9-(methylthio)-2-oxononanoate
  • smiles:
    • csccccccc(c(=o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • pbyokogrhhzthq-uhfffaoysa-l
  • molecular-weight:
    • 260.304

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality