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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | valerate | |
| Synonyms |
CH3-[CH2]3-COO(-) n-propylacetate pentanoate pentanoic acid, ion(1-) |
|
| Definitions |
A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31011 |
|
| charge |
-1
|
|
| database_cross_reference |
Reaxys:3903735 PMID:18783570 PMID:17314444 Gmelin:325619 CAS:10023-74-2
|
|
| definition |
A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
|
|
| formula |
C5H9O2
|
|
| has role | ||
| has_alternative_id |
CHEBI:14751 CHEBI:25890
|
|
| has_exact_synonym |
pentanoate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
CH3-[CH2]3-COO(-) n-propylacetate pentanoate pentanoic acid, ion(1-)
|
|
| id |
CHEBI:31011
|
|
| in_subset | ||
| inchi |
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
|
|
| inchikey |
NQPDZGIKBAWPEJ-UHFFFAOYSA-M
|
|
| is conjugate base of | ||
| label |
valerate
|
|
| mass |
101.12376
|
|
| monoisotopicmass |
101.06080
|
|
| notation |
CHEBI:31011
|
|
| prefLabel |
valerate
|
|
| smiles |
CCCCC([O-])=O
|
|
| treeView | ||
| subClassOf |
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