Difference between revisions of "Pathwaytools"

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(Created page with "Category:metabolite == Metabolite 2-METHYL-BUTYRYL-COA == * smiles: ** ccc(c)c(=o)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)...")
(Created page with "Category:metabolite == Metabolite CPD-7414 == * smiles: ** cc(=cc=cc=c(c)c=cc=c(c)c=cc1(c(c)(c)ccc=c(c)1))c=cc=c(c)c=cc2(c(c)=cccc(c)(c)2) * common-name: ** ε-caro...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-METHYL-BUTYRYL-COA ==
+
== Metabolite CPD-7414 ==
 
* smiles:
 
* smiles:
** ccc(c)c(=o)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-]
+
** cc(=cc=cc=c(c)c=cc=c(c)c=cc1(c(c)(c)ccc=c(c)1))c=cc=c(c)c=cc2(c(c)=cccc(c)(c)2)
 
* common-name:
 
* common-name:
** 2-methylbutanoyl-coa
+
** ε-carotene
 
* inchi-key:
 
* inchi-key:
** lynvnydeqmmnmz-xgxnyeovsa-j
+
** qabfxomooywzlz-gdbzimipsa-n
 
* molecular-weight:
 
* molecular-weight:
** 847.62
+
** 536.882
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2-METHYLACYL-COA-DEHYDROGENASE-RXN]]
 
* [[2KETO-3METHYLVALERATE-RXN]]
 
* [[MBCOA-DHLIPOAMIDE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2-METHYLACYL-COA-DEHYDROGENASE-RXN]]
+
* [[RXN-8028]]
* [[2KETO-3METHYLVALERATE-RXN]]
 
* [[MBCOA-DHLIPOAMIDE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-methylbutanoyl-coa}}
+
{{#set: common-name=ε-carotene}}
{{#set: inchi-key=inchikey=lynvnydeqmmnmz-xgxnyeovsa-j}}
+
{{#set: inchi-key=inchikey=qabfxomooywzlz-gdbzimipsa-n}}
{{#set: molecular-weight=847.62}}
+
{{#set: molecular-weight=536.882}}

Revision as of 16:56, 13 January 2021

Metabolite CPD-7414

  • smiles:
    • cc(=cc=cc=c(c)c=cc=c(c)c=cc1(c(c)(c)ccc=c(c)1))c=cc=c(c)c=cc2(c(c)=cccc(c)(c)2)
  • common-name:
    • ε-carotene
  • inchi-key:
    • qabfxomooywzlz-gdbzimipsa-n
  • molecular-weight:
    • 536.882

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality