Difference between revisions of "CPD-5846"

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(Created page with "Category:metabolite == Metabolite OCTANOL == * common-name: ** 1-octanol * smiles: ** cccccccco * inchi-key: ** kbplfhhgfootca-uhfffaoysa-n * molecular-weight: ** 130.23 =...")
(Created page with "Category:metabolite == Metabolite CPD-5846 == * common-name: ** 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate * smiles: ** cc(c)cccc(c)[ch]4(c...")
 
(4 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite OCTANOL ==
+
== Metabolite CPD-5846 ==
 
* common-name:
 
* common-name:
** 1-octanol
+
** 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
 
* smiles:
 
* smiles:
** cccccccco
+
** cc(c)cccc(c)[ch]4(cc[ch]3(c(c)(cc[ch]2(c(=cc[ch]1(c(c)(c([o-])=o)c(ccc(c)12)o))3))4))
 
* inchi-key:
 
* inchi-key:
** kbplfhhgfootca-uhfffaoysa-n
+
** uqfzktihsicspg-dshyqqbwsa-m
 
* molecular-weight:
 
* molecular-weight:
** 130.23
+
** 443.688
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[1.1.1.170-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ALKANE-1-MONOOXYGENASE-RXN]]
+
* [[1.1.1.170-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=1-octanol}}
+
{{#set: common-name=3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate}}
{{#set: inchi-key=inchikey=kbplfhhgfootca-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=uqfzktihsicspg-dshyqqbwsa-m}}
{{#set: molecular-weight=130.23}}
+
{{#set: molecular-weight=443.688}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-5846

  • common-name:
    • 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
  • smiles:
    • cc(c)cccc(c)[ch]4(cc[ch]3(c(c)(cc[ch]2(c(=cc[ch]1(c(c)(c([o-])=o)c(ccc(c)12)o))3))4))
  • inchi-key:
    • uqfzktihsicspg-dshyqqbwsa-m
  • molecular-weight:
    • 443.688

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality