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(Q74411402)
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English
(9R,10S)-9,10-epoxyoctadecanoate
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
9,10-epoxystearate
0 references
mass
297.24351849591
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(9S,10R)-epoxyoctadecanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₃O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCC1OC1CCCCCCCC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCC[C@H]1[C@H](O1)CCCCCCCC(=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/p-1/t16-,17+/m0/s1
0 references
InChIKey
IMYZYCNQZDBZBQ-DLBZAZTESA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
25202651
1 reference
matched by identifier from
InChIKey
InChIKey
IMYZYCNQZDBZBQ-DLBZAZTESA-M
ChEBI ID
137460
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/p-1/t16-,17+/m0/s1
UniChem compound ID
161384932
1 reference
stated in
UniChem
SwissLipids ID
SLM:000597881
1 reference
matched by identifier from
InChIKey
InChIKey
IMYZYCNQZDBZBQ-DLBZAZTESA-M
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