Difference between revisions of "Workflow"

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(Created page with "Category:metabolite == Metabolite CPD-4702 == * common-name: ** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol * smiles: ** cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(...")
(Created page with "=Workflow command history= ==Command sequence== ==Downloads== You can download the command log file here")
 
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[[Category:metabolite]]
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=Workflow command history=
== Metabolite CPD-4702 ==
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* common-name:
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==Command sequence==
** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
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==Downloads==
* smiles:
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You can download the [[MEDIA:log.txt|command log file here]]
** cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c([o-])=o)c(o)ccc(c)1c=2ccc(c)34))))
 
* inchi-key:
 
** jhiwifrqjxlneu-gsqagghasa-m
 
* molecular-weight:
 
** 427.646
 
== Reaction(s) known to consume the compound ==
 
* [[RXN66-318]]
 
== Reaction(s) known to produce the compound ==
 
* [[RXN-13709]]
 
* [[RXN-13709-4-METHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4702/NAD/WATER.76.]]
 
* [[RXN-13709-4-METHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4702/NADP/WATER.78.]]
 
== Reaction(s) of unknown directionality ==
 
{{#set: common-name=4α-carboxy-5α-cholesta-8,24-dien-3β-ol}}
 
{{#set: inchi-key=inchikey=jhiwifrqjxlneu-gsqagghasa-m}}
 
{{#set: molecular-weight=427.646}}
 

Latest revision as of 11:18, 18 March 2021

Workflow command history

Command sequence

Downloads

You can download the command log file here