Difference between revisions of "CPDQT-28"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-28 CPDQT-28] == * smiles: ** CSCCCCCC(=O)C([O-])=O * common name: ** 7-(methylthio)-2-oxo...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCCCCC(=O)C([O-])=O | ** CSCCCCCC(=O)C([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 189.249 | ** 189.249 | ||
| + | * inchi key: | ||
| + | ** InChIKey=TWAIOPPFLZEXCO-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 7-(methylthio)-2-oxoheptanoate | ||
* Synonym(s): | * Synonym(s): | ||
** 7-(methylthio)-2-oxoheptanoic acid | ** 7-(methylthio)-2-oxoheptanoic acid | ||
| Line 15: | Line 15: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
* [[RXNQT-4168]] | * [[RXNQT-4168]] | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| Line 22: | Line 21: | ||
* KNAPSACK : C00007645 | * KNAPSACK : C00007645 | ||
{{#set: smiles=CSCCCCCC(=O)C([O-])=O}} | {{#set: smiles=CSCCCCCC(=O)C([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=189.249 }} | {{#set: molecular weight=189.249 }} | ||
| + | {{#set: inchi key=InChIKey=TWAIOPPFLZEXCO-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=7-(methylthio)-2-oxoheptanoate}} | ||
{{#set: common name=7-(methylthio)-2-oxoheptanoic acid}} | {{#set: common name=7-(methylthio)-2-oxoheptanoic acid}} | ||
| − | {{#set: produced by=RXNQT-4168 | + | {{#set: produced by=RXNQT-4168}} |
Latest revision as of 12:37, 10 January 2019
Contents
Metabolite CPDQT-28
- smiles:
- CSCCCCCC(=O)C([O-])=O
- molecular weight:
- 189.249
- inchi key:
- InChIKey=TWAIOPPFLZEXCO-UHFFFAOYSA-M
- common name:
- 7-(methylthio)-2-oxoheptanoate
- Synonym(s):
- 7-(methylthio)-2-oxoheptanoic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- KNAPSACK : C00007645
"CSCCCCCC(=O)C([O-])=O" cannot be used as a page name in this wiki.
