Difference between revisions of "ISOBUTYRATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOBUTYRATE ISOBUTYRATE] == * smiles: ** CC(C)C([O-])=O * common name: ** isobutanoate * inchi...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)C([O-])=O | ** CC(C)C([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 87.098 | ** 87.098 | ||
| + | * inchi key: | ||
| + | ** InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** isobutanoate | ||
* Synonym(s): | * Synonym(s): | ||
** 2-methylpropionic acid | ** 2-methylpropionic acid | ||
| Line 22: | Line 22: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC48944 |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?c02632 c02632] | ** [http://www.genome.jp/dbget-bin/www_bget?c02632 c02632] | ||
| + | * HMDB : HMDB01873 | ||
| + | * UM-BBD-CPD : c0383 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.144940.html 144940] | ** [http://www.chemspider.com/Chemical-Structure.144940.html 144940] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48944 48944] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48944 48944] | ||
| − | * | + | * CAS : 79-31-2 |
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=165337 165337] | ||
| + | * NCI: | ||
| + | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=62780 62780] | ||
{{#set: smiles=CC(C)C([O-])=O}} | {{#set: smiles=CC(C)C([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=87.098 }} | {{#set: molecular weight=87.098 }} | ||
| + | {{#set: inchi key=InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=isobutanoate}} | ||
{{#set: common name=2-methylpropionic acid|2-methylpropanoic acid|isobutyric acid|isobutyrate|dimethylacetic acid|2-methylpropanoate}} | {{#set: common name=2-methylpropionic acid|2-methylpropanoic acid|isobutyric acid|isobutyrate|dimethylacetic acid|2-methylpropanoate}} | ||
{{#set: produced by=RXN-7691}} | {{#set: produced by=RXN-7691}} | ||
Latest revision as of 15:47, 9 January 2019
Contents
Metabolite ISOBUTYRATE
- smiles:
- CC(C)C([O-])=O
- molecular weight:
- 87.098
- inchi key:
- InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-M
- common name:
- isobutanoate
- Synonym(s):
- 2-methylpropionic acid
- 2-methylpropanoic acid
- isobutyric acid
- isobutyrate
- dimethylacetic acid
- 2-methylpropanoate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC48944
- LIGAND-CPD:
- HMDB : HMDB01873
- UM-BBD-CPD : c0383
- CHEMSPIDER:
- CHEBI:
- CAS : 79-31-2
- PUBCHEM:
- NCI:
"CC(C)C([O-])=O" cannot be used as a page name in this wiki.
