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(Q74861371)
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English
7S,8S-epoxy-17R-hydroxydocosahexaenoic acid
chemical compound
7S,8S-epoxy-17R-HDHA
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
358.21440943999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(4Z,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7S,8S-epoxy-17S-hydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₄
0 references
canonical SMILES
CCC=CCC(O)C=CC=CC=CC=CC1OC1CC=CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(O)(=O)CC/C=C\C[C@H]1[C@H](/C=C/C=C/C=C\C=C\[C@@H](C/C=C\CC)O)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/C22H30O4/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20-21(26-20)17-12-8-13-18-22(24)25/h3-12,15-16,19-21,23H,2,13-14,17-18H2,1H3,(H,24,25)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21+/m1/s1
0 references
InChIKey
BOFBVWROGCPAFH-ZIXRSAMDSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
53477503
1 reference
matched by identifier from
InChIKey
InChIKey
BOFBVWROGCPAFH-ZIXRSAMDSA-N
ChEBI ID
138613
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H30O4/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20-21(26-20)17-12-8-13-18-22(24)25/h3-12,15-16,19-21,23H,2,13-14,17-18H2,1H3,(H,24,25)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21+/m1/s1
UniChem compound ID
49976394
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA04000073
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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