Difference between revisions of "CPD-19488"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19488 CPD-19488] == * smiles: ** CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] * common name: ** 3-iso...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] | ** CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 260.304 | ** 260.304 | ||
| + | * inchi key: | ||
| + | ** InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L | ||
| + | * common name: | ||
| + | ** 3-isopropyl-9-(methylthio)-2-oxononanoate | ||
* 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-18202]] | * [[RXN-18202]] | ||
== External links == | == External links == | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123131572 123131572] | ||
{{#set: smiles=CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}} | {{#set: smiles=CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=260.304 }} | {{#set: molecular weight=260.304 }} | ||
| − | {{#set: | + | {{#set: inchi key=InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L}} |
| + | {{#set: common name=3-isopropyl-9-(methylthio)-2-oxononanoate}} | ||
{{#set: reversible reaction associated=RXN-18202}} | {{#set: reversible reaction associated=RXN-18202}} | ||
Latest revision as of 13:08, 10 January 2019
Contents
Metabolite CPD-19488
- smiles:
- CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
- molecular weight:
- 260.304
- inchi key:
- InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L
- common name:
- 3-isopropyl-9-(methylthio)-2-oxononanoate
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-" cannot be used as a page name in this wiki.
