Difference between revisions of "CPD1G-1346"

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(Created page with "Category:metabolite == Metabolite CPD-14746 == * common-name: ** thiobenzoate * smiles: ** c(c1(c=cc=cc=1))(s)=o * inchi-key: ** uijgntrupzpvng-uhfffaoysa-n * molecular-we...")
(Created page with "Category:metabolite == Metabolite CPD1G-1346 == * common-name: ** trehalose-trans-methoxy-mono-mycolate * smiles: ** ccccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14746 ==
+
== Metabolite CPD1G-1346 ==
 
* common-name:
 
* common-name:
** thiobenzoate
+
** trehalose-trans-methoxy-mono-mycolate
 
* smiles:
 
* smiles:
** c(c1(c=cc=cc=1))(s)=o
+
** ccccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccc3(cc3c(c)cccccccccccccccc(oc)c(c)cccccccccccccccccc)
 
* inchi-key:
 
* inchi-key:
** uijgntrupzpvng-uhfffaoysa-n
+
** amromufvhnpoeq-bzzonohysa-n
 
* molecular-weight:
 
* molecular-weight:
** 138.184
+
** 1592.571
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13725]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN1G-1437]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=thiobenzoate}}
+
{{#set: common-name=trehalose-trans-methoxy-mono-mycolate}}
{{#set: inchi-key=inchikey=uijgntrupzpvng-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=amromufvhnpoeq-bzzonohysa-n}}
{{#set: molecular-weight=138.184}}
+
{{#set: molecular-weight=1592.571}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPD1G-1346

  • common-name:
    • trehalose-trans-methoxy-mono-mycolate
  • smiles:
    • ccccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccc3(cc3c(c)cccccccccccccccc(oc)c(c)cccccccccccccccccc)
  • inchi-key:
    • amromufvhnpoeq-bzzonohysa-n
  • molecular-weight:
    • 1592.571

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality