Difference between revisions of "CPDQT-27"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-27 CPDQT-27] == * smiles: ** CSCCCCC(=O)C([O-])=O * common name: ** 6-(methylthio)-2-oxoh...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCCCC(=O)C([O-])=O | ** CSCCCCC(=O)C([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 175.222 | ** 175.222 | ||
| + | * inchi key: | ||
| + | ** InChIKey=GRUGZHAOXOPASC-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 6-(methylthio)-2-oxohexanoate | ||
* Synonym(s): | * Synonym(s): | ||
** 6-(methylthio)-2-oxohexanoic acid | ** 6-(methylthio)-2-oxohexanoic acid | ||
| Line 14: | Line 14: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[RXNQT-4165]] | * [[RXNQT-4165]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| Line 22: | Line 21: | ||
* KNAPSACK : C00007648 | * KNAPSACK : C00007648 | ||
{{#set: smiles=CSCCCCC(=O)C([O-])=O}} | {{#set: smiles=CSCCCCC(=O)C([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=175.222 }} | {{#set: molecular weight=175.222 }} | ||
| + | {{#set: inchi key=InChIKey=GRUGZHAOXOPASC-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=6-(methylthio)-2-oxohexanoate}} | ||
{{#set: common name=6-(methylthio)-2-oxohexanoic acid}} | {{#set: common name=6-(methylthio)-2-oxohexanoic acid}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=RXNQT-4165}} |
Latest revision as of 12:50, 10 January 2019
Contents
Metabolite CPDQT-27
- smiles:
- CSCCCCC(=O)C([O-])=O
- molecular weight:
- 175.222
- inchi key:
- InChIKey=GRUGZHAOXOPASC-UHFFFAOYSA-M
- common name:
- 6-(methylthio)-2-oxohexanoate
- Synonym(s):
- 6-(methylthio)-2-oxohexanoic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- KNAPSACK : C00007648
"CSCCCCC(=O)C([O-])=O" cannot be used as a page name in this wiki.
