Difference between revisions of "CPD-13754"

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(Created page with "Category:metabolite == Metabolite COBALT-SIROHYDROCHLORIN == * common-name: ** cobalt-sirohydrochlorin * smiles: ** cc1(cc(=o)[o-])(c2(=cc5(c(ccc(=o)[o-])c(c)(cc(=o)[o-])c...")
(Created page with "Category:metabolite == Metabolite CPD-13754 == * common-name: ** 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc...")
 
(One intermediate revision by one other user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite COBALT-SIROHYDROCHLORIN ==
+
== Metabolite CPD-13754 ==
 
* common-name:
 
* common-name:
** cobalt-sirohydrochlorin
+
** 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa
 
* smiles:
 
* smiles:
** cc1(cc(=o)[o-])(c2(=cc5(c(ccc(=o)[o-])c(c)(cc(=o)[o-])c6(=cc4(=c(cc(=o)[o-])c(ccc(=o)[o-])=c3(c=c8(c(ccc(=o)[o-])=c(cc(=o)[o-])c7(c=c(c(ccc(=o)[o-])1)n2[co--](n34)([n+]=56)[n+]=78))))))))
+
** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)ccc1(c(=o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
 
* inchi-key:
 
* inchi-key:
** xzmxjydtaininl-qiiswyhfsa-d
+
** iwnwmtzijpudpv-mdqhzgblsa-j
 
* molecular-weight:
 
* molecular-weight:
** 911.694
+
** 983.77
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12747]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[4.99.1.3-RXN]]
+
* [[RXN-12747]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=cobalt-sirohydrochlorin}}
+
{{#set: common-name=3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa}}
{{#set: inchi-key=inchikey=xzmxjydtaininl-qiiswyhfsa-d}}
+
{{#set: inchi-key=inchikey=iwnwmtzijpudpv-mdqhzgblsa-j}}
{{#set: molecular-weight=911.694}}
+
{{#set: molecular-weight=983.77}}

Latest revision as of 11:18, 18 March 2021

Metabolite CPD-13754

  • common-name:
    • 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa
  • smiles:
    • cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)ccc1(c(=o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
  • inchi-key:
    • iwnwmtzijpudpv-mdqhzgblsa-j
  • molecular-weight:
    • 983.77

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

Property "Common-name" (as page type) with input value "3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.