loading...| Preferred Name |
sorbic acid |
|
| Synonyms |
2-propenylacrylic acid (2-butenylidene) acetic acid 2,4-Hexadiensaeure 2,4-hexadienoic acid crotylidene acetic acid Sorbinsaeure 2,4-SA SA hexa-2,4-dienoic acid |
|
| Definitions |
A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_35962 |
|
| alternative term |
2-propenylacrylic acid (2-butenylidene) acetic acid 2,4-Hexadiensaeure 2,4-hexadienoic acid crotylidene acetic acid Sorbinsaeure 2,4-SA SA hexa-2,4-dienoic acid |
|
| charge |
0 |
|
| database_cross_reference |
CAS:22500-92-1 Beilstein:1741831 PMID:11206806 |
|
| definition |
A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. |
|
| formula |
C6H8O2 |
|
| has_exact_synonym |
hexa-2,4-dienoic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
2-propenylacrylic acid (2-butenylidene) acetic acid 2,4-Hexadiensaeure 2,4-hexadienoic acid crotylidene acetic acid Sorbinsaeure 2,4-SA SA |
|
| id |
CHEBI:35962 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8) |
|
| inchikey |
WSWCOQWTEOXDQX-UHFFFAOYSA-N |
|
| is_conjugate_acid_of | ||
| label |
sorbic acid |
|
| mass |
112.12652 |
|
| monoisotopicmass |
112.05243 |
|
| notation |
CHEBI:35962 |
|
| prefLabel |
sorbic acid |
|
| smiles |
[H]C(C)=CC([H])=CC(O)=O |
|
| subClassOf |