Difference between revisions of "CPD-1099"

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(Created page with "Category:metabolite == Metabolite BENZALDEHYDE == * common-name: ** benzaldehyde * smiles: ** c(=o)c1(=cc=cc=c1) * inchi-key: ** humnylrzrppjdn-uhfffaoysa-n * molecular-we...")
(Created page with "Category:metabolite == Metabolite CPD-1099 == * common-name: ** raffinose * smiles: ** c(oc1(c(c(c(c(co)o1)o)o)o))c2(c(c(c(c(o2)oc3(co)(c(c(c(co)o3)o)o))o)o)o) * inchi-key...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite BENZALDEHYDE ==
+
== Metabolite CPD-1099 ==
 
* common-name:
 
* common-name:
** benzaldehyde
+
** raffinose
 
* smiles:
 
* smiles:
** c(=o)c1(=cc=cc=c1)
+
** c(oc1(c(c(c(c(co)o1)o)o)o))c2(c(c(c(c(o2)oc3(co)(c(c(c(co)o3)o)o))o)o)o)
 
* inchi-key:
 
* inchi-key:
** humnylrzrppjdn-uhfffaoysa-n
+
** mupfekgtmrgplj-zqskzdjdsa-n
 
* molecular-weight:
 
* molecular-weight:
** 106.124
+
** 504.441
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
+
* [[2.4.1.67-RXN]]
 +
* [[RXN-11502]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
+
* [[2.4.1.67-RXN]]
 +
* [[2.4.1.82-RXN]]
 +
* [[RXN-11501]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=benzaldehyde}}
+
{{#set: common-name=raffinose}}
{{#set: inchi-key=inchikey=humnylrzrppjdn-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=mupfekgtmrgplj-zqskzdjdsa-n}}
{{#set: molecular-weight=106.124}}
+
{{#set: molecular-weight=504.441}}

Latest revision as of 11:14, 18 March 2021

Metabolite CPD-1099

  • common-name:
    • raffinose
  • smiles:
    • c(oc1(c(c(c(c(co)o1)o)o)o))c2(c(c(c(c(o2)oc3(co)(c(c(c(co)o3)o)o))o)o)o)
  • inchi-key:
    • mupfekgtmrgplj-zqskzdjdsa-n
  • molecular-weight:
    • 504.441

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality