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(Q110199221)
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English
[1-[6-(Aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hexadecanoyloxypropan-2-yl] docosanoate
group of stereoisomers with the chemical formula C₄₇H₉₁NO₉
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
813.6693834920003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₇H₉₁NO₉
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canonical SMILES
O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC1OC(CN)C(O)C(O)C1O)CCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C47H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(50)56-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)38-54-42(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h40-41,44-47,51-53H,3-39,48H2,1-2H3
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InChIKey
BZZSCXPOEAFLES-UHFFFAOYSA-N
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PubChem CID
74076552
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BZZSCXPOEAFLES-UHFFFAOYSA-N
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