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(Q106038766)
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English
(4Z,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoic acid
chemical compound
(4Z)-6-{3-[(1E,3E,5Z,7E,9S,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hex-4-enoic acid
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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 SMILES
stereoisomer of
7S,8S-epoxy-17S-hydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7S,8S-epoxy-17R-hydroxydocosahexaenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC(O)C=CC=CC=CC=CC1OC1CC=CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\C1OC1C/C=C\CCC(=O)O
1 reference
based on heuristic
inferred from InChI
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?/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
BOFBVWROGCPAFH-VEYGSZKMSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
16061140
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
134608
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
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?/m0/s1
UniChem compound ID
47598893
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA04000013
1 reference
InChIKey
BOFBVWROGCPAFH-VEYGSZKMSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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