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(Q76616169)
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English
[(9Z,12Z)-octadeca-9,12-dienyl] docosanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
wax monoester
0 references
mass
588.5845316719999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₄₀H₇₆O₂
0 references
canonical SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\C/C=C\CCCCC
0 references
Identifiers
InChI
InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-39H2,1-2H3/b14-12-,20-18-
0 references
InChIKey
PZFBERMREGYNHL-MLWYYCKJSA-N
0 references
PubChem CID
45934104
1 reference
matched by identifier from
InChIKey
InChIKey
PZFBERMREGYNHL-MLWYYCKJSA-N
ChEBI ID
165668
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-39H2,1-2H3/b14-12-,20-18-
UniChem compound ID
44034681
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA07010171
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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