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(Q106956351)
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English
hexa-2,4-dienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
unsaturated fatty acid
0 references
mass
112.1268
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₈O₂
1 reference
PubChem CID
5251
retrieved
23 May 2021
canonical SMILES
CC=CC=CC(=O)O
1 reference
PubChem CID
5251
retrieved
23 May 2021
melting point
134
degree Celsius
1 reference
stated in
BradleyDoublePlusGoodMeltingPointDataset
Identifiers
InChI
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
1 reference
PubChem CID
5251
retrieved
23 May 2021
InChIKey
WSWCOQWTEOXDQX-UHFFFAOYSA-N
1 reference
PubChem CID
5251
retrieved
23 May 2021
CAS Registry Number
22500-92-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5251
2 references
retrieved
23 May 2021
matched by identifier from
InChIKey
InChIKey
WSWCOQWTEOXDQX-UHFFFAOYSA-N
ChEBI ID
35962
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
UniChem compound ID
1102656
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20859193
1 reference
matched by identifier from
InChIKey
InChIKey
WSWCOQWTEOXDQX-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0253115
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WSWCOQWTEOXDQX-UHFFFAOYSA-N
Probes And Drugs ID
PD062286
0 references
LIPID MAPS ID
LMFA01031012
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 January 2022
InChIKey
WSWCOQWTEOXDQX-UHFFFAOYSA-N
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