Difference between revisions of "CPD-12852"

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(Created page with "Category:metabolite == Metabolite CPD1G-1353 == * common-name: ** trehalose-cis-keto-mono-mycolate * smiles: ** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c...")
(Created page with "Category:metabolite == Metabolite CPD-12852 == * common-name: ** 4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol * smiles: ** cc(c)=cccc(c)[ch]3(ccc4(c)...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD1G-1353 ==
+
== Metabolite CPD-12852 ==
 
* common-name:
 
* common-name:
** trehalose-cis-keto-mono-mycolate
+
** 4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol
 
* smiles:
 
* smiles:
** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccccc3(cc(ccccccccccccccccc(=o)c(cccccccccccccccccc)c)3)
+
** cc(c)=cccc(c)[ch]3(ccc4(c)(c2(cc[ch]1(c(c)c(o)ccc(c)1c=2ccc(c)34))))
 
* inchi-key:
 
* inchi-key:
** wpvqftorcfmmcp-wbsumzshsa-n
+
** klzwthglldrkhd-pmiioqglsa-n
 
* molecular-weight:
 
* molecular-weight:
** 1590.555
+
** 412.698
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-11881]]
 +
* [[RXN21165]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN1G-1438]]
+
* [[RXN-11876]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=trehalose-cis-keto-mono-mycolate}}
+
{{#set: common-name=4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol}}
{{#set: inchi-key=inchikey=wpvqftorcfmmcp-wbsumzshsa-n}}
+
{{#set: inchi-key=inchikey=klzwthglldrkhd-pmiioqglsa-n}}
{{#set: molecular-weight=1590.555}}
+
{{#set: molecular-weight=412.698}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-12852

  • common-name:
    • 4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol
  • smiles:
    • cc(c)=cccc(c)[ch]3(ccc4(c)(c2(cc[ch]1(c(c)c(o)ccc(c)1c=2ccc(c)34))))
  • inchi-key:
    • klzwthglldrkhd-pmiioqglsa-n
  • molecular-weight:
    • 412.698

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality