Difference between revisions of "CPD-622"
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(Created page with "Category:metabolite == Metabolite SO3 == * smiles: ** [o-]s([o-])=o * common-name: ** sulfite * inchi-key: ** lsnnmfcwukxfee-uhfffaoysa-l * molecular-weight: ** 80.058 ==...") |
(Created page with "Category:metabolite == Metabolite CPDQT-37 == * smiles: ** csccccc(c(o)c(=o)[o-])c(=o)[o-] * common-name: ** 3-(4'-methylthio)butylmalate * inchi-key: ** zizldvklmyvmnx-uh...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite CPDQT-37 == |
* smiles: | * smiles: | ||
| − | ** [o-] | + | ** csccccc(c(o)c(=o)[o-])c(=o)[o-] |
* common-name: | * common-name: | ||
| − | ** | + | ** 3-(4'-methylthio)butylmalate |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** zizldvklmyvmnx-uhfffaoysa-l |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 234.267 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-18206]] | ||
| + | * [[RXNQT-4168]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[ | + | * [[RXN-18206]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=3-(4'-methylthio)butylmalate}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=zizldvklmyvmnx-uhfffaoysa-l}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=234.267}} |
Revision as of 18:45, 23 November 2020
Contents
Metabolite CPDQT-37
- smiles:
- csccccc(c(o)c(=o)[o-])c(=o)[o-]
- common-name:
- 3-(4'-methylthio)butylmalate
- inchi-key:
- zizldvklmyvmnx-uhfffaoysa-l
- molecular-weight:
- 234.267
