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(Q105204326)
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English
(2E)-octadec-2-en-4-ynedioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
308.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₈O₄
0 references
canonical SMILES
O=C(O)C=CC#CCCCCCCCCCCCCC(=O)O
0 references
isomeric SMILES
C(/C=C/C#CCCCCCCCCCCCCC(=O)O)(=O)O
0 references
found in taxon
Nanodea muscosa
1 reference
stated in
Acetylenic acids from the aerial parts of Nanodea muscosa
Identifiers
InChI
InChI=1S/C18H28O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h14,16H,1-9,11,13,15H2,(H,19,20)(H,21,22)/b16-14+
0 references
InChIKey
PABFFLLJEGWXPY-JQIJEIRASA-N
0 references
PubChem CID
21629652
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PABFFLLJEGWXPY-JQIJEIRASA-N
UniChem compound ID
546139
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA01170160
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
31 December 2022
InChIKey
PABFFLLJEGWXPY-JQIJEIRASA-N
based on heuristic
InChIKey match
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