Difference between revisions of "CPDQT-29"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-29 CPDQT-29] == * smiles: ** CSCCCCCCC(=O)C([O-])=O * common name: ** 8-(methylthio)-2-ox...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCCCCCC(=O)C([O-])=O | ** CSCCCCCCC(=O)C([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 203.276 | ** 203.276 | ||
| + | * inchi key: | ||
| + | ** InChIKey=QDZNKMGEHAHOTA-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 8-(methylthio)-2-oxooctanoate | ||
* Synonym(s): | * Synonym(s): | ||
** 8-(methylthio)-2-oxooctanoic acid | ** 8-(methylthio)-2-oxooctanoic 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-4171]] | * [[RXNQT-4171]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| Line 22: | Line 21: | ||
* KNAPSACK : C00007643 | * KNAPSACK : C00007643 | ||
{{#set: smiles=CSCCCCCCC(=O)C([O-])=O}} | {{#set: smiles=CSCCCCCCC(=O)C([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=203.276 }} | {{#set: molecular weight=203.276 }} | ||
| + | {{#set: inchi key=InChIKey=QDZNKMGEHAHOTA-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=8-(methylthio)-2-oxooctanoate}} | ||
{{#set: common name=8-(methylthio)-2-oxooctanoic acid}} | {{#set: common name=8-(methylthio)-2-oxooctanoic acid}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=RXNQT-4171}} |
Latest revision as of 15:16, 10 January 2019
Contents
Metabolite CPDQT-29
- smiles:
- CSCCCCCCC(=O)C([O-])=O
- molecular weight:
- 203.276
- inchi key:
- InChIKey=QDZNKMGEHAHOTA-UHFFFAOYSA-M
- common name:
- 8-(methylthio)-2-oxooctanoate
- Synonym(s):
- 8-(methylthio)-2-oxooctanoic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- KNAPSACK : C00007643
"CSCCCCCCC(=O)C([O-])=O" cannot be used as a page name in this wiki.
