Difference between revisions of "CPD-19489"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19489 CPD-19489] == * smiles: ** CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] * common name: ** 3-isop...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] | ** CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 246.278 | ** 246.278 | ||
| + | * inchi key: | ||
| + | ** InChIKey=YOBCOUZBIFVTFN-UHFFFAOYSA-L | ||
| + | * common name: | ||
| + | ** 3-isopropyl-8-(methylthio)-2-oxooctanoate | ||
* Synonym(s): | * Synonym(s): | ||
== 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 == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[RXN-18204]] | * [[RXN-18204]] | ||
== External links == | == External links == | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123131579 123131579] | ||
{{#set: smiles=CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}} | {{#set: smiles=CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=246.278 }} | {{#set: molecular weight=246.278 }} | ||
| − | {{#set: | + | {{#set: inchi key=InChIKey=YOBCOUZBIFVTFN-UHFFFAOYSA-L}} |
| + | {{#set: common name=3-isopropyl-8-(methylthio)-2-oxooctanoate}} | ||
{{#set: reversible reaction associated=RXN-18204}} | {{#set: reversible reaction associated=RXN-18204}} | ||
Latest revision as of 12:23, 10 January 2019
Contents
Metabolite CPD-19489
- smiles:
- CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
- molecular weight:
- 246.278
- inchi key:
- InChIKey=YOBCOUZBIFVTFN-UHFFFAOYSA-L
- common name:
- 3-isopropyl-8-(methylthio)-2-oxooctanoate
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-" cannot be used as a page name in this wiki.
