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(Q63391640)
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English
methyl heneicosanoate
chemical compound
heneicosanoic acid methyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
340.334130648
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₄₄O₂
0 references
canonical SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC
0 references
found in taxon
Aloe vera
1 reference
stated in
Components of the gel of Aloe vera (L.) burm. f.
Identifiers
InChI
InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3
0 references
InChIKey
AJRICDSAJQHDSD-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
6064-90-0
1 reference
InChIKey
AJRICDSAJQHDSD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=6064-90-0
PubChem CID
22434
0 references
ChEBI ID
144356
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3
UniChem compound ID
24406968
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP009252
0 references
ZVG number
530456
0 references
DSSTox substance ID
DTXSID70209447
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
AJRICDSAJQHDSD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90131938
0 references
KNApSAcK ID
C00053300
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AJRICDSAJQHDSD-UHFFFAOYSA-N
UNII
MN4YZ4KTG7
1 reference
matched by identifier from
InChIKey
InChIKey
AJRICDSAJQHDSD-UHFFFAOYSA-N
Probes And Drugs ID
PD099276
0 references
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