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(Q74411486)
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English
(5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoate
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
11,12-DHET(1-)
0 references
mass
337.23843311590997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosatrienoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₃O₄⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC=CCC(O)C(O)CC=CCC=CCCCC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC/C=C\C[C@H]([C@@H](C/C=C\C/C=C\CCCC(=O)[O-])O)O
0 references
Identifiers
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/p-1/b8-6-,12-9-,13-10-/t18-,19-/m1/s1
0 references
InChIKey
LRPPQRCHCPFBPE-FYVRRLHDSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
40490684
1 reference
matched by identifier from
InChIKey
InChIKey
LRPPQRCHCPFBPE-FYVRRLHDSA-M
ChEBI ID
138004
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/p-1/b8-6-,12-9-,13-10-/t18-,19-/m1/s1
UniChem compound ID
2498625
1 reference
stated in
UniChem
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