loading...| Preferred Name |
pivalic acid |
|
| Synonyms |
PIVALIC ACID 2,2-dimethylpropanoic acid dimethylpropionic acid trimethylacetic acid acide pivalique tert-pentanoic acid Pivalinsaeure acide 2,2-dimethylpropanoique alpha,alpha-dimethylpropionic acid neopentanoic acid acido pivalico 2,2-dimethylpropionic acid |
|
| Definitions |
A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45133 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:969480 Reaxys:969480 PMID:22566287 PMID:16430936 Wikipedia:Pivalic_acid PMID:17724113 HMDB:HMDB0041992 LIPID_MAPS_instance:LMFA01020073 PMID:22790609 PMID:21509470 CAS:75-98-9 Gmelin:82375 PDBeChem:PIV |
|
| definition |
A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. |
|
| formula |
C5H10O2 |
|
| has exact synonym |
PIVALIC ACID 2,2-dimethylpropanoic acid |
|
| has_alternative_id |
CHEBI:45132 CHEBI:35815 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
dimethylpropionic acid trimethylacetic acid acide pivalique tert-pentanoic acid Pivalinsaeure acide 2,2-dimethylpropanoique alpha,alpha-dimethylpropionic acid neopentanoic acid acido pivalico 2,2-dimethylpropionic acid |
|
| id |
CHEBI:45133 |
|
| in_subset | ||
| inchi |
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) |
|
| inchikey |
IUGYQRQAERSCNH-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
pivalic acid |
|
| mass |
102.13170 |
|
| monoisotopicmass |
102.06808 |
|
| notation |
CHEBI:45133 |
|
| prefLabel |
pivalic acid |
|
| smiles |
CC(C)(C)C(O)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_39417 |