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(Q74411998)
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English
(2E,5S,6E,8E,10E)-1-ammoniododeca-2,6,8,10-tetraen-5-ol
cation
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Statements
instance of
type of chemical entity
0 references
subclass of
organic cation
0 references
ammonium ion derivative
0 references
mass
194.15394068009
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₂₀NO⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC=CC=CC=CC(O)CC=CC[NH3+]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C/C=C/C=C/C=C/[C@H](C/C=C/C[NH3+])O
0 references
Identifiers
InChI
InChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/p+1/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
0 references
InChIKey
IWHNBGKZOVCSTH-QHHLHPODSA-O
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
129320392
1 reference
matched by identifier from
InChIKey
InChIKey
IWHNBGKZOVCSTH-QHHLHPODSA-O
ChEBI ID
142545
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/p+1/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
UniChem compound ID
161599564
1 reference
stated in
UniChem
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