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English
9-hydroxytridecyl docosanoate
group of stereoisomers with the chemical formula C₃₅H₇₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic acyclic ester
1 reference
inferred from
biogenic acyclic ester
fatty alcohol
1 reference
inferred from
fatty alcohol
mass
538.9298
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₇₀O₃
0 references
canonical SMILES
O=C(OCCCCCCCCC(O)CCCC)CCCCCCCCCCCCCCCCCCCCC
0 references
Identifiers
InChI
InChI=1S/C35H70O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32-35(37)38-33-29-26-23-22-24-27-31-34(36)30-6-4-2/h34,36H,3-33H2,1-2H3
0 references
InChIKey
SOELRCQALJYJGU-UHFFFAOYSA-N
0 references
CAS Registry Number
155758-78-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
129824367
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOELRCQALJYJGU-UHFFFAOYSA-N
ChEBI ID
171736
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C35H70O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32-35(37)38-33-29-26-23-22-24-27-31-34(36)30-6-4-2/h34,36H,3-33H2,1-2H3
UniChem compound ID
32021467
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101277063
1 reference
matched by identifier from
InChIKey
InChIKey
SOELRCQALJYJGU-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0041080
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOELRCQALJYJGU-UHFFFAOYSA-N
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