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(Q113949677)
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English
(9S,10R,11R,12Z,15Z)-9,10,11-Trihydroxy-12,15-octadecadienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
328.2249741239999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(9R,10R,11S)-9,10,11-trihydroxyoctadeca-12,15-dienoic acid
1 reference
based on heuristic
inferred from InChI
(9R,10S,11S,12Z,15Z)-9,10,11-trihydroxyoctadeca-12,15-dienoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC=CC(O)C(O)C(O)CCCCCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C\C/C=C\[C@H]([C@@H]([C@H](CCCCCCCC(=O)O)O)O)O
1 reference
based on heuristic
inferred from SMILES
Identifiers
InChI
InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18+/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
KFINXCASWPGHEW-KBDXMMPDSA-N
0 references
PubChem CID
44139364
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KFINXCASWPGHEW-KBDXMMPDSA-N
UniChem compound ID
358669
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA02000360
0 references
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