Difference between revisions of "ALLO-THR"
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(Created page with "Category:metabolite == Metabolite CPD-7418 == * smiles: ** c(c=cc1(=c(c=cc=c1)o))(=o)[o-] * common-name: ** coumarinate * inchi-key: ** pmowtihvnwzyfi-waywqwqtsa-m * molec...") |
(Created page with "Category:metabolite == Metabolite CIS-ACONITATE == * smiles: ** c([o-])(=o)c(=cc(=o)[o-])cc(=o)[o-] * common-name: ** cis-aconitate * inchi-key: ** gtzcvfvgugfeme-iwqzzhsr...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite CIS-ACONITATE == |
* smiles: | * smiles: | ||
| − | ** c( | + | ** c([o-])(=o)c(=cc(=o)[o-])cc(=o)[o-] |
* common-name: | * common-name: | ||
| − | ** | + | ** cis-aconitate |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** gtzcvfvgugfeme-iwqzzhsrsa-k |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 171.086 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[ACONITATEDEHYDR-RXN]] |
| + | * [[ACONITATEHYDR-RXN]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[RXN- | + | * [[ACONITATEDEHYDR-RXN]] |
| + | * [[ACONITATEHYDR-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=cis-aconitate}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=gtzcvfvgugfeme-iwqzzhsrsa-k}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=171.086}} |
Revision as of 18:36, 12 January 2021
Contents
Metabolite CIS-ACONITATE
- smiles:
- c([o-])(=o)c(=cc(=o)[o-])cc(=o)[o-]
- common-name:
- cis-aconitate
- inchi-key:
- gtzcvfvgugfeme-iwqzzhsrsa-k
- molecular-weight:
- 171.086
