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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | valeric acid | |
| Synonyms |
Valeriansaeure n-Valeric acid propylacetic acid n-Pentanoate CH3-[CH2]3-COOH valeric acid, normal 1-butanecarboxylic acid n-pentanoic acid n-valeric acid Valerianic acid PENTANOIC ACID pentoic acid Pentanoic acid Pentanoate Valerate n-BuCOOH Valeric acid pentanoic acid |
|
| Definitions |
A straight-chain saturated fatty acid containing five carbon atoms. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17418 |
|
| alternative term |
Valeriansaeure n-Valeric acid propylacetic acid n-Pentanoate CH3-[CH2]3-COOH valeric acid, normal 1-butanecarboxylic acid n-pentanoic acid n-valeric acid Valerianic acid PENTANOIC ACID pentoic acid Pentanoic acid Pentanoate Valerate n-BuCOOH Valeric acid pentanoic acid
|
|
| bearer_of | ||
| charge |
0
|
|
| database_cross_reference |
CAS:109-52-4 PMID:20507156 DrugBank:DB02406 Gmelin:26714 PDBeChem:LEA Reaxys:969454 Beilstein:969454 HMDB:HMDB0000892 Wikipedia:Valeric_acid KEGG:C00803 LIPID_MAPS_instance:LMFA01010005 KNApSAcK:C00001208 PPDB:3130
|
|
| formula |
C5H10O2
|
|
| has role | ||
| has_alternative_id |
CHEBI:27263 CHEBI:27264 CHEBI:43606 CHEBI:113448 CHEBI:44803 CHEBI:7980
|
|
| has_exact_synonym |
Valeric acid pentanoic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Valeriansaeure n-Valeric acid propylacetic acid n-Pentanoate CH3-[CH2]3-COOH valeric acid, normal 1-butanecarboxylic acid n-pentanoic acid n-valeric acid Valerianic acid PENTANOIC ACID pentoic acid Pentanoic acid Pentanoate Valerate n-BuCOOH
|
|
| id |
CHEBI:17418
|
|
| in_subset | ||
| inchi |
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
|
|
| inchikey |
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
|
|
| is conjugate acid of | ||
| label |
valeric acid
|
|
| mass |
102.13170
|
|
| monoisotopicmass |
102.06808
|
|
| notation |
CHEBI:17418
|
|
| prefLabel |
valeric acid
|
|
| smiles |
CCCCC(O)=O
|
|
| textual definition |
A straight-chain saturated fatty acid containing five carbon atoms.
|
|
| subClassOf |
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