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(Q120205513)
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English
(8R,12S)-9,10-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
352.2249741239999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
levuglandin D2
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(8S,12R)-9,10-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(8R,12S)-9,10-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(8S,12R)-9,10-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(O)C=CC(C(C)=O)C(C=O)CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(CCC/C=C\C[C@@H](C=O)[C@H](/C=C/[C@@H](O)CCCCC)C(=O)C)(=O)O
0 references
Identifiers
InChI
InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
MLLWPVVMXGUOHD-LBONXFAWSA-N
0 references
PubChem CID
52921922
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MLLWPVVMXGUOHD-LBONXFAWSA-N
UniChem compound ID
52295443
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA03100022
0 references
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