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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | sorbic acid | |
| Synonyms |
2-propenylacrylic acid 2,4-hexadienoic acid (2-butenylidene) acetic acid crotylidene acetic acid 2,4-Hexadiensaeure 2,4-SA Sorbinsaeure 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 |
|
| charge |
0
|
|
| database_cross_reference |
Beilstein:1741831 PMID:11206806 CAS:22500-92-1
|
|
| 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 2,4-hexadienoic acid (2-butenylidene) acetic acid crotylidene acetic acid 2,4-Hexadiensaeure 2,4-SA Sorbinsaeure 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
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26208 http://purl.obolibrary.org/obo/CHEBI_24555 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26208 http://purl.obolibrary.org/obo/CHEBI_24555 |
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