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(Q74411906)
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
monocarboxylic acid anion
0 references
mass
263.16526817591
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₂₃O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC1C(=O)C=CC1CCCCCC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C\C[C@H]1[C@H](C=CC1=O)CCCCCC(=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/p-1/b5-3-/t13-,14-/m0/s1
0 references
InChIKey
SZVNKXCDJUBPQO-DWMAKUKJSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
129900400
1 reference
matched by identifier from
InChIKey
InChIKey
SZVNKXCDJUBPQO-DWMAKUKJSA-M
ChEBI ID
138432
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/p-1/b5-3-/t13-,14-/m0/s1
UniChem compound ID
16080708
1 reference
stated in
UniChem
SwissLipids ID
SLM:000597985
1 reference
matched by identifier from
InChIKey
InChIKey
SZVNKXCDJUBPQO-DWMAKUKJSA-M
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