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(Q60998666)
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7-oxodocosahexaenoic acid
chemical compound
7-oxo-DHA
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
342.21949481999997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₀O₃
0 references
canonical SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)C/C=C\CCC(=O)O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C(C(O)=O)C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)=O
0 references
subject has role
primary metabolite
1 reference
stated in
Reactome
reference URL
https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT
Identifiers
InChI
InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
0 references
InChIKey
SITZAHBLAZBWRW-XJAVJPOHSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
132472311
1 reference
matched by identifier from
InChIKey
InChIKey
SITZAHBLAZBWRW-XJAVJPOHSA-N
ChEBI ID
140252
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
UniChem compound ID
164438321
1 reference
stated in
UniChem
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