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Environmental conditions, treatments and exposures ontology
Last uploaded:
February 14, 2023
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| Preferred Name | 2-methylbutyrate | |
| Synonyms |
2-methylbutanoate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_48946 |
|
| charge |
-1
|
|
| formula |
C5H9O2
|
|
| has exact synonym |
2-methylbutanoate
|
|
| hasOBONamespace |
chebi_ontology
|
|
| hasRelatedSynonym |
2-methylbutanoate
|
|
| id |
CHEBI:48946
|
|
| inchi |
InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1
|
|
| inchikey |
WLAMNBDJUVNPJU-UHFFFAOYSA-M
|
|
| inSubset | ||
| is conjugate base of | ||
| label |
2-methylbutyrate
|
|
| mass |
101.12376
|
|
| monoisotopicmass |
101.06080
|
|
| notation |
CHEBI:48946
|
|
| prefLabel |
2-methylbutyrate
|
|
| smiles |
CCC(C)C([O-])=O
|
|
| xRef |
Beilstein:4127269
|
|
| subClassOf |
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