Difference between revisions of "CPD1F-140"

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(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...")
(Created page with "Category:metabolite == Metabolite CPD-9451 == * common-name: ** 2-isopropylmaleate * smiles: ** cc(c(c(=o)[o-])=cc(=o)[o-])c * inchi-key: ** njmgrjlqrlfqqx-hyxafxhysa-l *...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ISOPENICILLIN-N ==
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== Metabolite CPD-9451 ==
 
* common-name:
 
* common-name:
** isopenicillin n
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** 2-isopropylmaleate
 
* smiles:
 
* smiles:
** cc1(c)(s[ch]2(c(c(=o)n(c(c(=o)[o-])1)2)nc(=o)cccc([n+])c(=o)[o-]))
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** cc(c(c(=o)[o-])=cc(=o)[o-])c
 
* inchi-key:
 
* inchi-key:
** mifyhuacuwqukt-gtqwgbsqsa-m
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** njmgrjlqrlfqqx-hyxafxhysa-l
 
* molecular-weight:
 
* molecular-weight:
** 358.388
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** 156.138
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[3-ISOPROPYLMALISOM-RXN]]
 +
* [[IMDHT_LPAREN_3c2hmp_RPAREN_]]
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* [[RXN-8991]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.21.3.1-RXN]]
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* [[3-ISOPROPYLMALISOM-RXN]]
 +
* [[IMDHT_LPAREN_3c2hmp_RPAREN_]]
 +
* [[RXN-8991]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=isopenicillin n}}
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{{#set: common-name=2-isopropylmaleate}}
{{#set: inchi-key=inchikey=mifyhuacuwqukt-gtqwgbsqsa-m}}
+
{{#set: inchi-key=inchikey=njmgrjlqrlfqqx-hyxafxhysa-l}}
{{#set: molecular-weight=358.388}}
+
{{#set: molecular-weight=156.138}}

Revision as of 11:15, 15 January 2021

Metabolite CPD-9451

  • common-name:
    • 2-isopropylmaleate
  • smiles:
    • cc(c(c(=o)[o-])=cc(=o)[o-])c
  • inchi-key:
    • njmgrjlqrlfqqx-hyxafxhysa-l
  • molecular-weight:
    • 156.138

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality