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(Q106038770)
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English
5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid
chemical compound
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
332.19875937599994
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5(S)6-epoxy-18(S)-HEPE
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(O)C=CC=CCC=CC=CC=CC1OC1CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(O)/C=C/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17?,18-,19-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
ZPAJZAMPZXISSE-JXZUESEDSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
57836821
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
ZPAJZAMPZXISSE-JXZUESEDSA-N
ChEBI ID
136355
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17?,18-,19-/m0/s1
UniChem compound ID
54776234
1 reference
stated in
UniChem
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