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(Q113957438)
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English
(E)-7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
368.2198887439999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid
1 reference
based on heuristic
inferred from InChI
11-dehydro-thromboxane B2
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(O)C=CC1OC(=O)CC(O)C1CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C/CCCC(=O)O)O
1 reference
based on heuristic
inferred from SMILES
Identifiers
InChI
InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4+,13-12+/t15-,16-,17-,18+/m0/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
KJYIVXDPWBUJBQ-SOGWKEBJSA-N
0 references
PubChem CID
53477781
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
32007577
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0004242
1 reference
based on heuristic
inferred from InChIKey
LIPID MAPS ID
LMFA03030014
0 references
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