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(Q60998646)
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English
(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid
chemical compound
13,14-epoxy-DPA(n-3)
13,14-epoxydocosapentaenoic acid
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
344.23514488399996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₂O₃
0 references
canonical SMILES
CC/C=C\C/C=C\CC1OC1/C=C/C=C/C=C\CCCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C(C(O)=O)CCCC\C=C/C=C/C=C/C1C(C/C=C\C/C=C\CC)O1
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/C22H32O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h3-4,6-7,9,11-12,14-15,18,20-21H,2,5,8,10,13,16-17,19H2,1H3,(H,23,24)/b4-3-,7-6-,12-9+,14-11-,18-15+
0 references
InChIKey
LVAPVCGLGWDERB-DUKKATAHSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
132282527
1 reference
matched by identifier from
InChIKey
InChIKey
LVAPVCGLGWDERB-DUKKATAHSA-N
ChEBI ID
140200
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h3-4,6-7,9,11-12,14-15,18,20-21H,2,5,8,10,13,16-17,19H2,1H3,(H,23,24)/b4-3-,7-6-,12-9+,14-11-,18-15+
UniChem compound ID
164271847
1 reference
stated in
UniChem
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