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(Q74410634)
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English
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate
anion
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
polyunsaturated fatty acid anion
0 references
mass
291.19656830391
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₇O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC1OC1=CC=CCCCCCCCC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C\C[C@H]1/C(=C/C=C\CCCCCCCC(=O)[O-])/O1
0 references
Identifiers
InChI
InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/p-1/b10-3-,11-8-,17-14-/t16-/m0/s1
0 references
InChIKey
YZBZORUZOSCZRN-DCUPSMFCSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
20843327
1 reference
matched by identifier from
InChIKey
InChIKey
YZBZORUZOSCZRN-DCUPSMFCSA-M
ChEBI ID
134055
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/p-1/b10-3-,11-8-,17-14-/t16-/m0/s1
UniChem compound ID
66065255
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201344132
1 reference
matched by identifier from
InChIKey
InChIKey
YZBZORUZOSCZRN-DCUPSMFCSA-M
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