Difference between revisions of "ISOPENICILLIN-N"

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(Created page with "Category:metabolite == Metabolite CPD-15368 == * common-name: ** 3-oxo-lesqueroloyl-coa * smiles: ** ccccccc(o)cc=ccccccccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o...")
(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...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-15368 ==
+
== Metabolite ISOPENICILLIN-N ==
 
* common-name:
 
* common-name:
** 3-oxo-lesqueroloyl-coa
+
** isopenicillin n
 
* smiles:
 
* smiles:
** ccccccc(o)cc=ccccccccc(=o)cc(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-])=o
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** 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:
** nqxrrzbozbkgiu-mhaufedzsa-j
+
** mifyhuacuwqukt-gtqwgbsqsa-m
 
* molecular-weight:
 
* molecular-weight:
** 1085.989
+
** 358.388
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14493]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14492]]
+
* [[1.21.3.1-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-lesqueroloyl-coa}}
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{{#set: common-name=isopenicillin n}}
{{#set: inchi-key=inchikey=nqxrrzbozbkgiu-mhaufedzsa-j}}
+
{{#set: inchi-key=inchikey=mifyhuacuwqukt-gtqwgbsqsa-m}}
{{#set: molecular-weight=1085.989}}
+
{{#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