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(Q74411235)
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English
(4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoate
anion
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
carboxylate anion
0 references
fatty acid anion
0 references
mass
343.22786843191
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₁O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC1OC1CC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H]1[C@H](O1)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C22H32O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3,(H,23,24)/p-1/b4-3-,9-7-,10-8-,15-13-,16-14-/t20-,21+/m0/s1
0 references
InChIKey
OSXOPUBJJDUAOJ-SDRHCZSHSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
51651466
1 reference
matched by identifier from
InChIKey
InChIKey
OSXOPUBJJDUAOJ-SDRHCZSHSA-M
ChEBI ID
136410
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3,(H,23,24)/p-1/b4-3-,9-7-,10-8-,15-13-,16-14-/t20-,21+/m0/s1
UniChem compound ID
13885971
1 reference
stated in
UniChem
SwissLipids ID
SLM:000597751
1 reference
matched by identifier from
InChIKey
InChIKey
OSXOPUBJJDUAOJ-SDRHCZSHSA-M
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