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(Q82193335)
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English
N-(1,3-dihydroxyoctadec-4-en-2-yl)octadecanamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
565.543395132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₇₁NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)
0 references
InChIKey
VODZWWMEJITOND-UHFFFAOYSA-N
0 references
CAS Registry Number
54336-64-0
0 references
PubChem CID
3607830
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25324012
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS082301
1 reference
InChIKey
VODZWWMEJITOND-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID90394122
0 references
DSSTOX compound identifier
DTXCID10344982
0 references
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