Difference between revisions of "CPD1G-0"

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(Created page with "Category:metabolite == Metabolite CPD-3766 == * common-name: ** menadione * smiles: ** cc2(=cc(c1(c=cc=cc=1c2=o))=o) * inchi-key: ** mjvavzpdrwsrrc-uhfffaoysa-n * molecula...")
(Created page with "Category:metabolite == Metabolite CPD-16017 == * common-name: ** ergosteryl oleate * smiles: ** ccccccccc=ccccccccc(oc4(ccc1(c)(c(=cc=c2([ch]1ccc3(c)([ch](c(c=cc(c)c(c)c)c...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-3766 ==
+
== Metabolite CPD-16017 ==
 
* common-name:
 
* common-name:
** menadione
+
** ergosteryl oleate
 
* smiles:
 
* smiles:
** cc2(=cc(c1(c=cc=cc=1c2=o))=o)
+
** ccccccccc=ccccccccc(oc4(ccc1(c)(c(=cc=c2([ch]1ccc3(c)([ch](c(c=cc(c)c(c)c)c)cc[ch]23)))c4)))=o
 
* inchi-key:
 
* inchi-key:
** mjvavzpdrwsrrc-uhfffaoysa-n
+
** vvznllxlokrqph-nzirwoiasa-n
 
* molecular-weight:
 
* molecular-weight:
** 172.183
+
** 661.105
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[NADH-DEHYDROGENASE-QUINONE-RXN]]
+
* [[RXN-15135]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=menadione}}
+
{{#set: common-name=ergosteryl oleate}}
{{#set: inchi-key=inchikey=mjvavzpdrwsrrc-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=vvznllxlokrqph-nzirwoiasa-n}}
{{#set: molecular-weight=172.183}}
+
{{#set: molecular-weight=661.105}}

Revision as of 15:24, 5 January 2021

Metabolite CPD-16017

  • common-name:
    • ergosteryl oleate
  • smiles:
    • ccccccccc=ccccccccc(oc4(ccc1(c)(c(=cc=c2([ch]1ccc3(c)([ch](c(c=cc(c)c(c)c)c)cc[ch]23)))c4)))=o
  • inchi-key:
    • vvznllxlokrqph-nzirwoiasa-n
  • molecular-weight:
    • 661.105

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality