Difference between revisions of "PAPS"

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(Created page with "Category:metabolite == Metabolite ALPHA-METHYL-5-ALPHA-ERGOSTA == * common-name: ** 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol * smiles: ** cc(c)c(=c)cc...")
(Created page with "Category:metabolite == Metabolite CPD0-1905 == * common-name: ** 8-oxo-dgtp * smiles: ** c(op(=o)([o-])op(=o)(op([o-])([o-])=o)[o-])c1(oc(cc(o)1)n3(c(=o)nc2(c(=o)nc(n)=nc=...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ALPHA-METHYL-5-ALPHA-ERGOSTA ==
+
== Metabolite CPD0-1905 ==
 
* common-name:
 
* common-name:
** 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol
+
** 8-oxo-dgtp
 
* smiles:
 
* smiles:
** cc(c)c(=c)ccc(c)[ch]3(cc=c4(c2(cc[ch]1(c(c)c(o)ccc(c)1c=2ccc(c)34))))
+
** c(op(=o)([o-])op(=o)(op([o-])([o-])=o)[o-])c1(oc(cc(o)1)n3(c(=o)nc2(c(=o)nc(n)=nc=23)))
 
* inchi-key:
 
* inchi-key:
** hlawvowadpnagn-bahzufoisa-n
+
** buzogvvqwcxxdp-vpeninkcsa-j
 
* molecular-weight:
 
* molecular-weight:
** 410.682
+
** 519.151
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-4144]]
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* [[RXN-11396]]
 +
* [[RXN-14205]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.14.13.70-RXN]]
+
* [[RXN-14205]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol}}
+
{{#set: common-name=8-oxo-dgtp}}
{{#set: inchi-key=inchikey=hlawvowadpnagn-bahzufoisa-n}}
+
{{#set: inchi-key=inchikey=buzogvvqwcxxdp-vpeninkcsa-j}}
{{#set: molecular-weight=410.682}}
+
{{#set: molecular-weight=519.151}}

Revision as of 18:59, 14 January 2021

Metabolite CPD0-1905

  • common-name:
    • 8-oxo-dgtp
  • smiles:
    • c(op(=o)([o-])op(=o)(op([o-])([o-])=o)[o-])c1(oc(cc(o)1)n3(c(=o)nc2(c(=o)nc(n)=nc=23)))
  • inchi-key:
    • buzogvvqwcxxdp-vpeninkcsa-j
  • molecular-weight:
    • 519.151

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality