Difference between revisions of "CPD-157"

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(Created page with "Category:metabolite == Metabolite ISOBUTANOL == * common-name: ** isobutanol * smiles: ** cc(c)co * inchi-key: ** zxekiibdnhejcq-uhfffaoysa-n * molecular-weight: ** 74.122...")
(Created page with "Category:metabolite == Metabolite CPD-157 == * common-name: ** (2z,4e)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate * smiles: ** c([o-])(=o)ccc(=o)c=cc=c(c([o-])=o)o * inchi-k...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ISOBUTANOL ==
+
== Metabolite CPD-157 ==
 
* common-name:
 
* common-name:
** isobutanol
+
** (2z,4e)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate
 
* smiles:
 
* smiles:
** cc(c)co
+
** c([o-])(=o)ccc(=o)c=cc=c(c([o-])=o)o
 
* inchi-key:
 
* inchi-key:
** zxekiibdnhejcq-uhfffaoysa-n
+
** rfenovfrmprrji-ydcwotkksa-l
 
* molecular-weight:
 
* molecular-weight:
** 74.122
+
** 212.159
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7657]]
+
* [[MHPCHYDROL-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7657]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=isobutanol}}
+
{{#set: common-name=(2z,4e)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate}}
{{#set: inchi-key=inchikey=zxekiibdnhejcq-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=rfenovfrmprrji-ydcwotkksa-l}}
{{#set: molecular-weight=74.122}}
+
{{#set: molecular-weight=212.159}}

Revision as of 11:18, 15 January 2021

Metabolite CPD-157

  • common-name:
    • (2z,4e)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate
  • smiles:
    • c([o-])(=o)ccc(=o)c=cc=c(c([o-])=o)o
  • inchi-key:
    • rfenovfrmprrji-ydcwotkksa-l
  • molecular-weight:
    • 212.159

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality