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(Q60998643)
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English
17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid
chemical compound
17R(16)-epoxy-DHA
In more languages
default values for all languages
No label defined
No description defined
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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
stereoisomer of
17S,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid
1 reference
based on heuristic
inferred from InChIKey
chemical formula
C₂₂H₃₀O₃
0 references
canonical SMILES
CCC=CCC1OC1=CC=CCC=CCC=CCC=CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\1/[C@@H](C/C=C\CC)O1)=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/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,18,20H,2,4,9-10,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-,21-18+/t20-/m1/s1
0 references
InChIKey
GNNVMCUWAZZAPX-DUDYUTRASA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
132282523
1 reference
matched by identifier from
InChIKey
InChIKey
GNNVMCUWAZZAPX-DUDYUTRASA-N
ChEBI ID
140192
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H30O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,18,20H,2,4,9-10,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-,21-18+/t20-/m1/s1
UniChem compound ID
164271844
1 reference
stated in
UniChem
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