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(Q63396281)
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English
cyclohexyl pentanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
wax monoester
0 references
mass
184.2757
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₂₀O₂
0 references
canonical SMILES
CCCCC(=O)OC1CCCCC1
0 references
Identifiers
InChI
InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
0 references
InChIKey
YLCHTSSXNSNXSW-UHFFFAOYSA-N
0 references
CAS Registry Number
1551-43-5
1 reference
InChIKey
YLCHTSSXNSNXSW-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1551-43-5
PubChem CID
73772
1 reference
matched by identifier from
InChIKey
InChIKey
YLCHTSSXNSNXSW-UHFFFAOYSA-N
ChEBI ID
171840
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
SureChEMBL ID
SCHEMBL1177076
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YLCHTSSXNSNXSW-UHFFFAOYSA-N
UniChem compound ID
2069878
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006517
0 references
DSSTox substance ID
DTXSID10165811
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
YLCHTSSXNSNXSW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3088302
0 references
NSC number
53957
0 references
AICS Chemical ID (BEING DELETED)
6868
0 references
Human Metabolome Database ID
HMDB0034429
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YLCHTSSXNSNXSW-UHFFFAOYSA-N
LIPID MAPS ID
LMFA07010825
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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