Difference between revisions of "ISOPENICILLIN-N"

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(Created page with "Category:metabolite == Metabolite CPD-18762 == * common-name: ** 4-hydroxy-2-methyl-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4h)-one 1-oxide * smiles...")
(Created page with "Category:metabolite == Metabolite ISOPENICILLIN-N == * common-name: ** isopenicillin n * smiles: ** cc1(c)(s[ch]2(c(c(=o)n(c(c(=o)[o-])1)2)nc(=o)cccc([n+])c(=o)[o-])) * in...")
 
(One intermediate revision by the same user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-18762 ==
+
== Metabolite ISOPENICILLIN-N ==
 
* common-name:
 
* common-name:
** 4-hydroxy-2-methyl-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4h)-one 1-oxide
+
** isopenicillin n
 
* smiles:
 
* smiles:
** cc(c)=cccc(c)=cccc(c)=ccc2(o)(c(c1(c=cc=cc=1[n+](=c(c)2)[o-]))=o)
+
** cc1(c)(s[ch]2(c(c(=o)n(c(c(=o)[o-])1)2)nc(=o)cccc([n+])c(=o)[o-]))
 
* inchi-key:
 
* inchi-key:
** hzbjgdkeajeslm-yefhwucqsa-n
+
** mifyhuacuwqukt-gtqwgbsqsa-m
 
* molecular-weight:
 
* molecular-weight:
** 395.541
+
** 358.388
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-17334]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[1.21.3.1-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-hydroxy-2-methyl-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4h)-one 1-oxide}}
+
{{#set: common-name=isopenicillin n}}
{{#set: inchi-key=inchikey=hzbjgdkeajeslm-yefhwucqsa-n}}
+
{{#set: inchi-key=inchikey=mifyhuacuwqukt-gtqwgbsqsa-m}}
{{#set: molecular-weight=395.541}}
+
{{#set: molecular-weight=358.388}}

Latest revision as of 11:14, 18 March 2021

Metabolite ISOPENICILLIN-N

  • common-name:
    • isopenicillin n
  • smiles:
    • cc1(c)(s[ch]2(c(c(=o)n(c(c(=o)[o-])1)2)nc(=o)cccc([n+])c(=o)[o-]))
  • inchi-key:
    • mifyhuacuwqukt-gtqwgbsqsa-m
  • molecular-weight:
    • 358.388

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality