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-15370 == * common-name: ** trans-lesqueroloyl-coa * smiles: ** ccccccc(o)cc=ccccccccc=cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(o...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite BENZALDEHYDE ==
+
== Metabolite CPD-15370 ==
 
* common-name:
 
* common-name:
** benzaldehyde
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** trans-lesqueroloyl-coa
 
* smiles:
 
* smiles:
** c(=o)c1(=cc=cc=c1)
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** ccccccc(o)cc=ccccccccc=cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
 
* inchi-key:
 
* inchi-key:
** humnylrzrppjdn-uhfffaoysa-n
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** fgrjeqcmqcquqf-fscwmumrsa-j
 
* molecular-weight:
 
* molecular-weight:
** 106.124
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** 1069.99
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
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* [[RXN-14494]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=benzaldehyde}}
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{{#set: common-name=trans-lesqueroloyl-coa}}
{{#set: inchi-key=inchikey=humnylrzrppjdn-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=fgrjeqcmqcquqf-fscwmumrsa-j}}
{{#set: molecular-weight=106.124}}
+
{{#set: molecular-weight=1069.99}}

Revision as of 08:27, 15 March 2021

Metabolite CPD-15370

  • common-name:
    • trans-lesqueroloyl-coa
  • smiles:
    • ccccccc(o)cc=ccccccccc=cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
  • inchi-key:
    • fgrjeqcmqcquqf-fscwmumrsa-j
  • molecular-weight:
    • 1069.99

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality