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Neuroscience Information Framework (NIF) Standard Ontology
| Preferred Name | valproic acid | |
| Synonyms |
acido valproico Di-n-propylessigsaeure n-DPA acidum valproicum 2-PROPYL-PENTANOIC ACID acide valproique di-n-propylacetic acid Valproinsaeure DPA 2-propylpentanoic acid valproic acid 2-n-propyl-n-valeric acid dipropylacetic acid 2-propylvaleric acid Depakene VPA 4-heptanecarboxylic acid VALPROIC ACID |
|
| Definitions |
A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_39867 |
|
| alternative label |
acido valproico Di-n-propylessigsaeure n-DPA acidum valproicum 2-PROPYL-PENTANOIC ACID acide valproique di-n-propylacetic acid Valproinsaeure DPA 2-propylpentanoic acid valproic acid 2-n-propyl-n-valeric acid dipropylacetic acid 2-propylvaleric acid Depakene VPA 4-heptanecarboxylic acid VALPROIC ACID
|
|
| charge |
0
|
|
| database_cross_reference |
PDBeChem:2PP Beilstein:1750447 PMID:19318486 Drug_Central:2803 KEGG:D00399 PMID:12475192 Reaxys:1750447 LIPID_MAPS_instance:LMFA01020291 KEGG:C07185 PMID:19280426 PMID:17273758 PMID:24135375 PMID:17156483 PMID:23949302 Wikipedia:Valproic_Acid CAS:99-66-1 PMID:15560954 PMID:15578701 PMID:24348849 DrugBank:DB00313 PMID:11716839 PMID:23792104 LINCS:LSM-4620 PMID:16621443 PMID:23810771 HMDB:HMDB0001877 PMID:8681902 PMID:15124690 PMID:16759735 PMID:8558327 PMID:16496131 PMID:24200999
|
|
| definition |
A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.
|
|
| formula |
C8H16O2
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_50905 http://purl.obolibrary.org/obo/CHEBI_35477 http://purl.obolibrary.org/obo/CHEBI_51374 http://purl.obolibrary.org/obo/CHEBI_61115 |
|
| has exact synonym |
VALPROIC ACID 2-propylpentanoic acid
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50905 http://purl.obolibrary.org/obo/CHEBI_35477 http://purl.obolibrary.org/obo/CHEBI_51374 http://purl.obolibrary.org/obo/CHEBI_61115 |
|
| has_alternative_id |
CHEBI:115217 CHEBI:9926 CHEBI:39858
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
acido valproico Di-n-propylessigsaeure n-DPA acidum valproicum 2-PROPYL-PENTANOIC ACID acide valproique di-n-propylacetic acid Valproinsaeure DPA 2-propylpentanoic acid valproic acid 2-n-propyl-n-valeric acid dipropylacetic acid 2-propylvaleric acid Depakene VPA 4-heptanecarboxylic acid
|
|
| id |
CHEBI:39867
|
|
| in_subset | ||
| inchi |
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
|
|
| inchikey |
NIJJYAXOARWZEE-UHFFFAOYSA-N
|
|
| is conjugate acid of | ||
| label |
valproic acid
|
|
| mass |
144.21140
|
|
| monoisotopicmass |
144.11503
|
|
| notation |
CHEBI:39867
|
|
| note |
A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.
|
|
| preferred label |
valproic acid
|
|
| prefLabel |
valproic acid
|
|
| smiles |
CCCC(CCC)C(O)=O
|
|
| subClassOf |
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| No notes to display |