Difference between revisions of "CPD-14283"

From metabolic_network
Jump to navigation Jump to search
(Created page with "Category:metabolite == Metabolite VANILLYL_MANDELATE == * common-name: ** vanillyl mandelate * smiles: ** coc1(c(o)=cc=c(c=1)c(o)c(=o)[o-]) * inchi-key: ** cgqcwmiaepehnq-...")
(Created page with "Category:metabolite == Metabolite CPD-14283 == * common-name: ** trans-cerot-2-enoyl-coa * smiles: ** cccccccccccccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite VANILLYL_MANDELATE ==
+
== Metabolite CPD-14283 ==
 
* common-name:
 
* common-name:
** vanillyl mandelate
+
** trans-cerot-2-enoyl-coa
 
* smiles:
 
* smiles:
** coc1(c(o)=cc=c(c=1)c(o)c(=o)[o-])
+
** cccccccccccccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 
* inchi-key:
 
* inchi-key:
** cgqcwmiaepehnq-mrvpvssysa-m
+
** gguuxbbwtgiige-kesudtcvsa-j
 
* molecular-weight:
 
* molecular-weight:
** 197.167
+
** 1140.167
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10917]]
+
* [[RXN-13305]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=vanillyl mandelate}}
+
{{#set: common-name=trans-cerot-2-enoyl-coa}}
{{#set: inchi-key=inchikey=cgqcwmiaepehnq-mrvpvssysa-m}}
+
{{#set: inchi-key=inchikey=gguuxbbwtgiige-kesudtcvsa-j}}
{{#set: molecular-weight=197.167}}
+
{{#set: molecular-weight=1140.167}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPD-14283

  • common-name:
    • trans-cerot-2-enoyl-coa
  • smiles:
    • cccccccccccccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
  • inchi-key:
    • gguuxbbwtgiige-kesudtcvsa-j
  • molecular-weight:
    • 1140.167

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality