Difference between revisions of "CPDQT-30"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-30 CPDQT-30] == * smiles: ** CSCCCCCCCC(=O)C([O-])=O * common name: ** 9-(methylthio)-2-o...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCCCCCCC(=O)C([O-])=O | ** CSCCCCCCCC(=O)C([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 217.302 | ** 217.302 | ||
| + | * inchi key: | ||
| + | ** InChIKey=MJGXIOUQXYXGLP-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 9-(methylthio)-2-oxononanoate | ||
* Synonym(s): | * Synonym(s): | ||
** 9-(methylthio)-2-oxononanoic acid | ** 9-(methylthio)-2-oxononanoic 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-4174]] | * [[RXNQT-4174]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| Line 22: | Line 21: | ||
* KNAPSACK : C00007654 | * KNAPSACK : C00007654 | ||
{{#set: smiles=CSCCCCCCCC(=O)C([O-])=O}} | {{#set: smiles=CSCCCCCCCC(=O)C([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=217.302 }} | {{#set: molecular weight=217.302 }} | ||
| + | {{#set: inchi key=InChIKey=MJGXIOUQXYXGLP-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=9-(methylthio)-2-oxononanoate}} | ||
{{#set: common name=9-(methylthio)-2-oxononanoic acid}} | {{#set: common name=9-(methylthio)-2-oxononanoic acid}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=RXNQT-4174}} |
Latest revision as of 14:38, 10 January 2019
Contents
Metabolite CPDQT-30
- smiles:
- CSCCCCCCCC(=O)C([O-])=O
- molecular weight:
- 217.302
- inchi key:
- InChIKey=MJGXIOUQXYXGLP-UHFFFAOYSA-M
- common name:
- 9-(methylthio)-2-oxononanoate
- Synonym(s):
- 9-(methylthio)-2-oxononanoic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- KNAPSACK : C00007654
"CSCCCCCCCC(=O)C([O-])=O" cannot be used as a page name in this wiki.
