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Hexadecyl hexopyranosiduronic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
418.29305368399986
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₄₂O₇
0 references
canonical SMILES
CCCCCCCCCCCCCCCCOC1OC(C(=O)O)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-22-19(25)17(23)18(24)20(29-22)21(26)27/h17-20,22-25H,2-16H2,1H3,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1
0 references
InChIKey
QFUQXEVPTHAOHS-SXFAUFNYSA-N
0 references
CAS Registry Number
17460-02-5
0 references
PubChem CID
161223
1 reference
matched by identifier from
InChIKey
InChIKey
QFUQXEVPTHAOHS-SXFAUFNYSA-N
SureChEMBL ID
SCHEMBL13857739
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QFUQXEVPTHAOHS-SXFAUFNYSA-N
UniChem compound ID
32011116
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20938533
1 reference
matched by identifier from
InChIKey
InChIKey
QFUQXEVPTHAOHS-SXFAUFNYSA-N
DSSTOX compound identifier
DTXCID901367058
0 references
Human Metabolome Database ID
HMDB0010331
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QFUQXEVPTHAOHS-SXFAUFNYSA-N
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