Difference between revisions of "CPD-17624"

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(Created page with "Category:metabolite == Metabolite CPD-11552 == * common-name: ** 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate * smiles: ** c(=o)([o-])c(=o)cc(=o)c1(c=cc=c(o)c(n)=1) * in...")
(Created page with "Category:metabolite == Metabolite CPD-17624 == * common-name: ** ω-carboxy-(9z)-octadec-9-enoyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cccccccc=ccccccccc(=...")
 
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-11552 ==
+
== Metabolite CPD-17624 ==
 
* common-name:
 
* common-name:
** 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
+
** ω-carboxy-(9z)-octadec-9-enoyl-coa
 
* smiles:
 
* smiles:
** c(=o)([o-])c(=o)cc(=o)c1(c=cc=c(o)c(n)=1)
+
** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cccccccc=ccccccccc(=o)[o-])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-]
 
* inchi-key:
 
* inchi-key:
** ycjnyhccoxvyaf-uhfffaoysa-m
+
** iiswkvfhqlaomw-btfuzuoasa-i
 
* molecular-weight:
 
* molecular-weight:
** 222.177
+
** 1056.928
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10721]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10721]]
+
* [[RXN-16418]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate}}
+
{{#set: common-name=ω-carboxy-(9z)-octadec-9-enoyl-coa}}
{{#set: inchi-key=inchikey=ycjnyhccoxvyaf-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=iiswkvfhqlaomw-btfuzuoasa-i}}
{{#set: molecular-weight=222.177}}
+
{{#set: molecular-weight=1056.928}}

Latest revision as of 11:11, 18 March 2021

Metabolite CPD-17624

  • common-name:
    • ω-carboxy-(9z)-octadec-9-enoyl-coa
  • smiles:
    • cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cccccccc=ccccccccc(=o)[o-])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-]
  • inchi-key:
    • iiswkvfhqlaomw-btfuzuoasa-i
  • molecular-weight:
    • 1056.928

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality